Basic information
- CAS
2134-48-7- Standard SMILES
CC(N)C#N- InChIKey
UAMZETBJZRERCQ-UHFFFAOYSA-N- Molecular formula
- C3H6N2
- Average molar mass
- 70.09 g/mol
- Monoisotopic mass
- 70.05309819
Overview
Alpha-aminopropionitrile is an aminopropionitrile. It is a conjugate base of an alpha-aminopropiononitrile(1+).
Names & identifiers
- Preferred name
- Propanenitrile, 2-amino-
- IUPAC
- 2-aminopropanenitrile
- English name
- 2-Aminopropionitrile
- Molecular formula
- C3H6N2
- Molecular weight
- 70.09
Names & synonyms
2134-48-7Propanenitrile, 2-amino-RefChem:1096751606-743-22-Aminopropanenitrile2-aminopropionitrilealpha-aminopropionitrile51806-98-5MFCD00798450alpha-DL-Alanylnitrilealpha-AminopropiononitrilePropanenitrile, 2-amino-, (+-)-
Show more names
2-AMinopropionitrile hclα-DL-Alanylnitrile2-aMinopropanonitrile2-azanylpropanenitrile2-Aminopropiononitrile2-Aminopropion-NitrileDL-a-AMinopropionitrileDL-α-AMinopropionitrilerac-α-Aminopropionitrile
Propanenitrile, 2-amino-, (S)-2-amino-propionitrileSCHEMBL340C05714SCHEMBL2027266SCHEMBL4185680SCHEMBL6269422SCHEMBL27829988
Database identifiers
- CAS
2134-48-7、51806-98-5- PubChem CID
- 411840
- DTXSID
DTXSID90943896
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 58.5
Physicochemical properties
- Boiling point
- 111.55 °C · 111.55°C (rough estimate)
- Density
- 0.8379 · 0.8379 (rough estimate)
- refractive index
- 1.42 · 1.4200 (estimate)
- pka
- 5.9 · 5.90±0.29(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H315-H317-H318-H335
- Precautionary statements
- 210 · P210-P261-P280-P301+P310-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety data
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS06
- Hazard statements
- H225-H301-H315-H317-H318-H335
- Precautionary statements
- P210-P261-P280-P301+P310-P305+P351+P338
Chemistry & industry
Applications
UsesChiral Alanine manufacturing from racemic Aminopropionitrile with Rhodococcus bacteria. Peptide alanylnitrile toxicity.
Suppliers19 total
郑州汇聚化工有限公司13393710386 · [email protected]
上海凌飞医药科技有限公司15618928656 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
苏州启航生物科技有限公司18151111370
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
7 records
Compound notes
Loading…