Cas no 64910-46-9 (3-Amino-4-(methylamino)benzonitrile)
3-Amino-4-(methylamino)benzonitrile is a versatile aromatic compound featuring both amino and methylamino functional groups attached to a benzonitrile core. Its molecular structure (C8H9N3) offers dual reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitrile group enhances its utility in heterocyclic formation, while the amine groups facilitate further derivatization. This compound exhibits stability under standard conditions and demonstrates good solubility in polar organic solvents, enabling flexible reaction conditions. Its high purity and well-defined structure ensure reproducibility in coupling reactions, particularly in constructing fused ring systems or functionalized anilines. The compound's balanced lipophilicity also contributes to its applicability in medicinal chemistry for optimizing drug-like properties.
64910-46-9 structure
Product Name:3-Amino-4-(methylamino)benzonitrile
CAS No:64910-46-9
MF:C8H9N3
MW:147.177160978317
MDL:MFCD03407328
CID:501689
PubChem ID:2779731
Update Time:2025-07-02
3-Amino-4-(methylamino)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Amino-4-(methylamino)benzonitrile
- Benzonitrile,3-amino-4-(methylamino)-
- 3-Amino-4-methylamino-benzonitril
- 3-amino-4-methylamino-benzonitrile
- 4-Methylamino-3-aminobenzonitril
- ZZVVQSAUJWSQBV-UHFFFAOYSA-N
- SBB086545
- ZB007713
- EN002347
- 3-amino-4-(methylamino)benzenecarbonitrile
- AB0026051
- 3-azanyl-4-(methylamino)benzenecarbonitrile
- ST2404879
- W7635
- PS-4420
- CS-0105576
- DTXSID60381524
- FT-0614954
- AKOS009158995
- MFCD03407328
- AC-26490
- A834918
- SY029481
- Z425853148
- 64910-46-9
- EN300-85559
- SCHEMBL1161036
- DB-004355
-
- MDL： MFCD03407328
- Inchi： 1S/C8H9N3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,11H,10H2,1H3
- InChI Key： ZZVVQSAUJWSQBV-UHFFFAOYSA-N
- SMILES： N(C)C1C=CC(C#N)=CC=1N
Computed Properties
- Exact Mass: 147.08000
- Monoisotopic Mass: 147.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 169
- 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
- Topological Polar Surface Area: 61.8
- XLogP3: 0.9
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.1±0.1 g/cm3
- Melting Point: 139 °C
- Boiling Point: 346.7℃ at 760 mmHg
- Flash Point: 154.5±18.4 °C
- Refractive Index: 1.593
- PSA: 61.84000
- LogP: 1.83638
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
3-Amino-4-(methylamino)benzonitrile Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number：UN 3439
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S36/37
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22
- Safety Term：S36/37
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Amino-4-(methylamino)benzonitrile 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%
3-Amino-4-(methylamino)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A614653-10mg |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 10mg |
$ 50.00 | 2022-03-28 | ||
| TRC | A614653-50mg |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 50mg |
$ 65.00 | 2022-03-28 | ||
| TRC | A614653-100mg |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 100mg |
$ 80.00 | 2022-03-28 | ||
| Fluorochem | 092418-10g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 95% | 10g |
￡224.00 | 2022-03-01 | |
| Fluorochem | 092418-25g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 95% | 25g |
￡452.00 | 2022-03-01 | |
| Alichem | A019096815-5g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 98% | 5g |
$210.08 | 2023-09-01 | |
| Alichem | A019096815-10g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 98% | 10g |
$303.80 | 2023-09-01 | |
| Alichem | A019096815-25g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 98% | 25g |
$637.50 | 2023-09-01 | |
| Chemenu | CM118530-10g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 95+% | 10g |
$290 | 2021-06-17 | |
| Chemenu | CM118530-25g |
3-Amino-4-(methylamino)benzonitrile |
64910-46-9 | 95+% | 25g |
$585 | 2021-06-17 |
3-Amino-4-(methylamino)benzonitrile Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
64910-46-9 (3-Amino-4-(methylamino)benzonitrile) Related Products
- 4714-62-9(4-(Methylamino)benzonitrile)
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- 77326-39-7(Benzonitrile,2-amino-3-(dimethylamino)-)
- 36602-05-8(Benzonitrile,4,4'-iminobis-)
- 93086-88-5(Benzonitrile, 3-amino-4-[(4-aminophenyl)amino]-)
- 143174-02-1(3-Amino-4-(ethylamino)benzonitrile)
- 64910-52-7(3-(Methylamino)benzonitrile)
- 7466-96-8(2-Phenazinecarbonitrile,5,10-dihydro-5-methyl-)
- 36602-01-4(4-(Phenylamino)benzonitrile)
- 38803-30-4(3-(Dimethylamino)benzonitrile)
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