N,N,2-Trimethyl-1-phenyl-2,3-butadien-1-amine
Basic information
- CAS
76387-12-7- Standard SMILES
C=C=C(C)C(c1ccccc1)N(C)C- InChIKey
CNDNBMKNQSZMLS-UHFFFAOYSA-N- Molecular formula
- C13H17N
- Average molar mass
- 187.28 g/mol
- Monoisotopic mass
- 187.13609955
Names & identifiers
- Preferred name
- N,N,2-Trimethyl-1-phenyl-2,3-butadien-1-amine
- IUPAC
- N,N,2-trimethyl-1-phenylbuta-2,3-dien-1-amine
Names & synonyms
N,N,2-Trimethyl-1-phenyl-2,3-butadien-1-amine76387-12-7NSC355955NSC-355955NSC 355955BM88Q7EPP2N,N,2-trimethyl-1-phenyl-buta-2,3-dien-1-amineN,N-Dimethyl-N-(2-methyl-1-phenyl-2,3-butadienyl)amineN,N-Dimethyl-alpha-(1-methyl-1,2-propadien-1-yl)benzenemethanamineBenzenemethanamine, N,N-dimethyl-alpha-(1-methyl-1,2-propadien-1-yl)-
Database identifiers
- CAS
76387-12-7- PubChem CID
- 337535
- UNII
- BM88Q7EPP2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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