Cas no 16269-13-9 (1-Adamantaneacetonitrile)
1-Adamantaneacetonitrile is a highly versatile and stable nitrile derivative of adamantane, characterized by its rigid, cage-like molecular structure. This compound exhibits exceptional thermal and chemical stability due to the adamantane framework, making it suitable for applications in high-performance materials and specialty chemicals. Its unique structure provides enhanced steric hindrance, which can improve selectivity in organic synthesis, particularly in the preparation of pharmaceuticals and advanced polymers. The nitrile functional group offers reactivity for further derivatization, enabling its use as a key intermediate in fine chemical synthesis. Additionally, 1-Adamantaneacetonitrile demonstrates potential in materials science, where its rigidity contributes to the development of thermally resistant polymers and liquid crystals. Its low volatility and robust stability under harsh conditions further enhance its utility in industrial and research applications.
1-Adamantaneacetonitrile structure
Product Name:1-Adamantaneacetonitrile
CAS No:16269-13-9
MF:C12H17N
MW:175.270083189011
MDL:MFCD00194034
CID:87670
PubChem ID:140052
Update Time:2025-07-02
1-Adamantaneacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(Adamantan-1-yl)acetonitrile
- 1-Adamantaneacetonitrile
- 1-Adamantylacetonitrile
- 2-(1-adamantyl)acetonitrile
- 1-Carboxymethyladamantane nitrile
- 1-cyanomethyl-adamantane
- 2-adamantanylethanenitrile
- Tricyclo[3.3.1.1(3,7)]decane-1-acetonitrile
- 1-(Cyanomethyl)adamantane
- SCHEMBL354702
- AKOS006343446
- AKOS000272904
- LS-04306
- SR-01000389495-1
- MFCD00194034
- Tricyclo[3.3.1.13,7]decane-1-acetonitrile
- HMS1550F11
- 1-Adamantaneacetonitrile, 97%
- SR-01000389495
- DTXSID50167435
- FT-0608364
- AE-848/00883034
- Tricyclo(3.3.1.13,7)decane-1-acetonitrile
- NCGC00173543-01
- DXQVPXCZIRQITG-UHFFFAOYSA-N
- EU-0053119
- 16269-13-9
- TimTec1_005753
- tricyclo[3.3.1.1~3,7~]decane-1-acetonitrile
- tricyclo[3.3.1.1~3,7~]dec-1-ylacetonitrile
- STK767114
- ALBB-013704
-
- MDL： MFCD00194034
- Inchi： 1S/C12H17N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1,3-8H2
- InChI Key： DXQVPXCZIRQITG-UHFFFAOYSA-N
- SMILES： N#CCC12CC3CC(CC(C3)C1)C2
Computed Properties
- Exact Mass: 175.13600
- Monoisotopic Mass: 175.1361
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.4
- Topological Polar Surface Area: 23.8
Experimental Properties
- Color/Form: Not determined
- Density: 1.061±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 77.5-78.5 oC
- Boiling Point: 247.8±8.0 °C at 760 mmHg
- Flash Point: 99.3±13.3 °C
- Refractive Index: 1.534
- Solubility: Insuluble (8.2E-3 g/L) (25 oC),
- Water Partition Coefficient: Sparingly soluble in water.
- PSA: 23.79000
- LogP: 3.11648
- Solubility: Not determined
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
1-Adamantaneacetonitrile Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：3276
- Hazard Category Code： 20/21/22
- Safety Instruction： S22-S36/37
- HazardClass：6.1
- PackingGroup：III
- Risk Phrases：R20/21/22
- Packing Group：III
- Safety Term：6.1
- Packing Group：III
- Hazard Level：6.1
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-Adamantaneacetonitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
1-Adamantaneacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 063590-500mg |
1-Adamantylacetonitrile |
16269-13-9 | 500mg |
$237.00 | 2023-09-10 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | A90330-1g |
2-(Adamantan-1-yl)acetonitrile |
16269-13-9 | 97% | 1g |
￥928.0 | 2021-09-10 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | A90330-5g |
2-(Adamantan-1-yl)acetonitrile |
16269-13-9 | 97% | 5g |
￥3708.0 | 2021-09-10 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R023418-1g |
1-Adamantaneacetonitrile |
16269-13-9 | 97% | 1g |
￥926 | 2024-05-25 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R023418-5g |
1-Adamantaneacetonitrile |
16269-13-9 | 97% | 5g |
￥4225 | 2024-05-25 | |
| abcr | AB146934-1 g |
1-Adamantaneacetonitrile, 97%; . |
16269-13-9 | 97% | 1 g |
€96.30 | 2023-07-20 | |
| abcr | AB146934-5 g |
1-Adamantaneacetonitrile, 97%; . |
16269-13-9 | 97% | 5 g |
€332.00 | 2023-07-20 | |
| TRC | A220245-50mg |
1-Adamantaneacetonitrile |
16269-13-9 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A220245-100mg |
1-Adamantaneacetonitrile |
16269-13-9 | 100mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A220245-500mg |
1-Adamantaneacetonitrile |
16269-13-9 | 500mg |
$ 115.00 | 2022-06-08 |
1-Adamantaneacetonitrile Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
16269-13-9 (1-Adamantaneacetonitrile) Related Products
- 689276-25-3(BICYCLO[2.2.2]OCTANE-1-CARBONITRILE, 4-(1,1-DIMETHYLETHYL)-)
- 52582-89-5(3-(adamantan-1-yl)propanenitrile)
- 84219-05-6(Bicyclo[2.2.2]octane-1-acetonitrile, 4-butyl-)
- 113249-44-8(Tricyclo[3.3.1.13,7]decane-1,3,5,7-tetrapropanenitrile)
- 113249-40-4(Tricyclo[3.3.1.13,7]decane-1,3,5-tripropanenitrile)
- 106673-19-2(2-(3,3-dimethylcyclohexyl)acetonitrile)
- 41781-05-9(2-cyclohexyl-2-methylpropanenitrile)
- 1227462-37-4(4-PENTYL-4'-PROPYLBI(CYCLOHEXANE)-4-CARBONITRILE)
- 36317-31-4(Bicyclo[3.3.1]nonane-9-acetonitrile, 9-cyano-)
- 113249-37-9
Recommended suppliers
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
