1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
Basic information
- CAS
64467-59-0- Standard SMILES
C=CCC(CCC)(CCC)[NH2+]C.O=C([O-])/C=C\C(=O)O- InChIKey
SHFZXQCWBGQLMS-BTJKTKAUSA-N- Molecular formula
- C15H27NO4
- Average molar mass
- 285.38 g/mol
- Monoisotopic mass
- 285.19400834
Names & identifiers
- Preferred name
- 1-Hepten-4-amine, N-methyl-4-propyl-, (E)-2-butenedioate (1:1)
- IUPAC
- (Z)-4-hydroxy-4-oxobut-2-enoate;methyl(4-propylhept-1-en-4-yl)azanium
Names & synonyms
1-HEPTEN-4-AMINE, N-METHYL-4-PROPYL-, (E)-2-BUTENEDIOATE (1:1)64467-59-0RefChem:1055510LCG 21667N-Methyl-4-propyl-1-hepten-4-amine (E)-2-butenedioate
Database identifiers
- CAS
64467-59-0- PubChem CID
- 6434873
Properties
Computed structural properties
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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