3-cyclohexen-1-amine, 4-phenyl-, alpha-ethyl(1,1'-biphenyl)-4-acetate (salt)
Basic information
- CAS
51171-86-9- Standard SMILES
CCC(C(=O)O)c1ccc(-c2ccccc2)cc1.NC1CC=C(c2ccccc2)CC1- InChIKey
RGORBZPAMKMBMY-UHFFFAOYSA-N- Molecular formula
- C28H31NO2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.23547923
Names & identifiers
- Preferred name
- 3-cyclohexen-1-amine, 4-phenyl-, alpha-ethyl(1,1'-biphenyl)-4-acetate (salt)
- IUPAC
- 4-phenylcyclohex-3-en-1-amine;2-(4-phenylphenyl)butanoic acid
Names & synonyms
M.G. 64444-Phenyl-3-cyclohexen-1-ylamine alpha-ethyl-4-biphenylacetate4-Fenilcicloesen-(3)-ilammina sale con adfb [Italian]51171-86-94-Fenilcicloesen-(3)-ilammina sale con adfb3-Cyclohexen-1-amine, 4-phenyl-, alpha-ethyl(1,1'-biphenyl)-4-acetate (salt)4-Fenilcicloesen-(3)-ilammina sale con acido 2-(4-difenilil)butirrico [Italian]3-Cyclohexen-1-ylamine, 4-phenyl-, alpha-ethyl-4-biphenylacetate4-Fenilcicloesen-(3)-ilammina sale con acido 2-(4-difenilil)butirricoRefChem:2787383-Cyclohexen-1-amine, 4-phenyl-, alpha-ethyl(1,1'-biphenyl)-4-acetate (salt) (9CI)DTXSID40965447
Show more names
2-([1,1'-Biphenyl]-4-yl)butanoic acid--2,3,4,5-tetrahydro[1,1'-biphenyl]-4-amine (1/1)
Database identifiers
- CAS
51171-86-9- PubChem CID
- 3039769
- DTXSID
DTXSID40965447
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 450
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Compound notes
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