Basic information
- CAS
16750-40-6- Standard SMILES
CC(N)CC#N- InChIKey
PPBSMPOYVPZOFM-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Names & identifiers
- Preferred name
- Butyronitrile, 3-amino-
- IUPAC
- 3-aminobutanenitrile
- English name
- 3-AMino-butyronitrile
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
16750-40-6Butyronitrile, 3-amino-RefChem:10805073-aminobutanenitrile3-aminobutyronitrile3-Amino-butyronitrile2-cyano-1-methylethylamine.beta.-Aminobutyronitrilebeta-Aminobutyronitrile(S)-3-aminobutanenitrile,679808-74-3 - EBuyChem.compropane, 2-amino-1-cyano-SCHEMBL328810
Show more names
Butanenitrile, 3-amino-
SCHEMBL5623656PPBSMPOYVPZOFM-UHFFFAOYSA-NAKOS010135585SB44698DB-348111EN300-59896
Database identifiers
- CAS
16750-40-6- PubChem CID
- 123366
Properties
Computed structural properties
- XLogP
- -0.6
- 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
- Boiling point
- 186 °C · 186 °C
- Density
- 0.91565 g/cm3 · 0.91565 g/cm3
- pka
- 7.18 · 7.18±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
广州市震霖医药科技有限公司18102736234 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Related reactions
5 records
Compound notes
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