But-3-enyl-((S)-1-phenyl-ethyl)-amine

HCID 10559173CAS 114963-47-2

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

Related reactions

8 records

Linked notes

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