Basic information
- CAS
40651-89-6- Standard SMILES
CCC(N)C#N- InChIKey
DQQIUVCNBOJDGF-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Names & identifiers
- Preferred name
- 2-Aminobutanenitrile
- IUPAC
- 2-aminobutanenitrile
- English name
- 2-aminobutanenitrile
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
2-aminobutanenitrile40651-89-6DTXSID60329305RefChem:256001DTXCID00280406Butanenitrile, 2-amino-2-aminobutyronitrileBUTANENITRILE,2-AMINO-aminobutyronitrilealpha-aminobutyronitrile1-Amino-1-cyanopropaneButyronitrile, 2-amino-
Show more names
2-AMINOBUTANENITRILE HCLBrivaracetam Impurity 91Brivaracetam impurity 190Levetiracetam Impurity 37
EX6B3ZZW4T3-methyl amino propionitrileSCHEMBL239561DQQIUVCNBOJDGF-UHFFFAOYSA-NMFCD09738544AKOS000147965EN300-58210N14345
Database identifiers
- CAS
40651-89-6- PubChem CID
- 419293
- DTXSID
DTXSID60329305- UNII
- EX6B3ZZW4T
- Nikkaji
- J27.745B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 68.9
Physicochemical properties
- Melting point
- 143 · 143-145 °C
- Boiling point
- 50 °C · 50 °C(Press: 3 Torr)
- Density
- 0.914 · 0.914±0.06 g/cm3(Predicted)
- pka
- 5.92 · 5.92±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
1 records
Compound notes
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