Basic information
- Standard SMILES
C=CCCN[C@@H](C)c1ccccc1- InChIKey
BXQDWPXPKVWDGU-NSHDSACASA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609954
Names & identifiers
- Preferred name
- But-3-enyl-((S)-1-phenyl-ethyl)-amine
- IUPAC
- N-[(1S)-1-phenylethyl]but-3-en-1-amine
Names & synonyms
114963-47-2But-3-enyl-((S)-1-phenyl-ethyl)-amineDTXSID60441677RefChem:330373DTXCID60392498(S)-N-(1-PHENYLETHYL)BUT-3-EN-1-AMINEN-[(1S)-1-phenylethyl]but-3-en-1-amine(S)-But-3-enyl-(1-phenyl-ethyl)-amineSCHEMBL1357332BXQDWPXPKVWDGU-NSHDSACASA-NMFCD11847790AKOS013636614
Show more names
N-[(1 S)-1-phenylethyl]but-3-en-1-amine
Database identifiers
- CAS
114963-47-2- PubChem CID
- 10559173
- DTXSID
DTXSID60441677- Nikkaji
- J1.614.955A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Related reactions
8 records
Linked notes
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