2-Amino-4-methyl-5-hexenoic acid
Basic information
- CAS
25535-11-9- Standard SMILES
C=CC(C)CC(N)C(=O)O- InChIKey
BCNHWZJWSRTHPW-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- 2-Amino-4-methyl-5-hexenoic acid
- IUPAC
- 2-amino-4-methylhex-5-enoic acid
- English name
- 2-Amino-4-methyl-5-hexenoic acid
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
2-Amino-4-methyl-5-hexenoic acid25535-11-9L-2-amino-4-methyl-5-hexenoic acidRefChem:85213U 30116AMINO-4-METHYL-5-HEXENOIC ACIDNSC1212382-amino-4-methylhex-5-enoic acidNSC 121238SCHEMBL2231422DTXSID409484325-Hexenoic acid, 2-amino-4-methyl-
Show more names
NSC-121238
Database identifiers
- CAS
25535-11-9- PubChem CID
- 97401
- DTXSID
DTXSID40948432- Nikkaji
- J88.356E
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 249.7 · 249.7±28.0 °C(Predicted)
- Density
- 1.035 · 1.035±0.06 g/cm3(Predicted)
- pka
- 2.47 · 2.47±0.21(Predicted)
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Related reactions
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Compound notes
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