Basic information
- CAS
801228-51-3- Standard SMILES
CC[C@](C)(N)C#N- InChIKey
JCLSEQJEXYHVTC-YFKPBYRVSA-N- Molecular formula
- C5H10N2
- Average molar mass
- 98.15 g/mol
- Monoisotopic mass
- 98.08439833
Names & identifiers
- Preferred name
- (2S)-2-Amino-2-methylbutanenitrile
- IUPAC
- (2S)-2-amino-2-methylbutanenitrile
Names & synonyms
(2S)-2-Amino-2-methylbutanenitrile(2S)-2-Methyl-2-ethyl-2-aminoacetonitrileJ2.109.632FR87W4G3W4P(2S)-2-Amino-2-methylbutyronitrile2-Amino-2-methylbutanenitrile, (2S)-2-Amino-2-methylbutyronitrile, (2S)-801228-51-3Butanenitrile, 2-amino-2-methyl-, (2S)-
Database identifiers
- CAS
801228-51-3- PubChem CID
- 25759517
- UNII
- R87W4G3W4P
- Nikkaji
- J2.109.632F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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