Cas no 7663-76-5 (3-(2-oxopyrrolidin-1-yl)propanenitrile)
7663-76-5 structure
Product Name:3-(2-oxopyrrolidin-1-yl)propanenitrile
CAS No:7663-76-5
MF:C7H10N2O
MW:138.167101383209
MDL:MFCD00020874
CID:982832
PubChem ID:352624
Update Time:2025-04-20
3-(2-oxopyrrolidin-1-yl)propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-oxo-1-pyrrolidinepropionitrile
- 1-(2-Cyanoethyl)Pyrrolidene-2-One
- 3-(2-oxopyrrolidin-1-yl)propanenitrile
- N-(2-CYANOETHYL)-2-PYRROLIDONE
- NSC527268
- 3-(2-oxo-pyrrolidin-1-yl)-propionitrile
- SCHEMBL3988129
- DTXSID50326363
- InChI=1/C7H10N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-3,5-6H
- 7663-76-5
- FT-0629127
- NSC-527268
- AKOS000181628
- 3-(2-oxo-pyrrolidin-yl)-propionitrile
- CS-0245774
- DJTLPNRULHJYAC-UHFFFAOYSA-N
- EN300-31116
- 1-pyrrolidinepropanenitrile, 2-oxo-
- G31773
-
- MDL: MFCD00020874
- Inchi: 1S/C7H10N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-3,5-6H2
- InChI Key: DJTLPNRULHJYAC-UHFFFAOYSA-N
- SMILES: O=C1CCCN1CCC#N
Computed Properties
- Exact Mass: 138.07900
- Monoisotopic Mass: 138.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 2
- XLogP3: -0.5
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.12?g/mL?at 25?°C(lit.)
- Boiling Point: 138-140?°C0.3?mm Hg(lit.)
- Flash Point: >230?°F
- Refractive Index: n20/D 1.488(lit.)
- PSA: 44.10000
- LogP: 0.46038
- Solubility: Not determined
- Vapor Pressure: 0.28 psi ( 20 °C)
3-(2-oxopyrrolidin-1-yl)propanenitrile Security Information
- WGK Germany:3
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26; S36
-
Hazardous Material Identification:
- Risk Phrases:R20/21/22; R36/37/38
3-(2-oxopyrrolidin-1-yl)propanenitrile Customs Data
- HS CODE:2933790090
- Customs Data:
China Customs Code:
2933790090Overview:
2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%
3-(2-oxopyrrolidin-1-yl)propanenitrile Pricemore >>
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| Chemenu | CM525137-1g |
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$ 50.00 | 2022-06-03 | ||
| TRC | O991153-100mg |
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| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN4819-1G |
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7663-76-5 | 95% | 1g |
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| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN4819-5G |
3-(2-oxopyrrolidin-1-yl)propanenitrile |
7663-76-5 | 95% | 5g |
¥ 1,999.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBTEN4819-10G |
3-(2-oxopyrrolidin-1-yl)propanenitrile |
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¥ 3,003.00 | 2023-04-13 | |
| Enamine | EN300-31116-0.05g |
3-(2-oxopyrrolidin-1-yl)propanenitrile |
7663-76-5 | 95% | 0.05g |
$37.0 | 2023-09-05 | |
| Enamine | EN300-31116-0.1g |
3-(2-oxopyrrolidin-1-yl)propanenitrile |
7663-76-5 | 95% | 0.1g |
$55.0 | 2023-09-05 |
3-(2-oxopyrrolidin-1-yl)propanenitrile Related Literature
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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