Basic information
- CAS
37929-85-4- Standard SMILES
C=CCN(C)CCc1ccccc1- InChIKey
KZHQCROCWWNORX-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Benzeneethanamine, N-methyl-N-2-propenyl-
- IUPAC
- N-methyl-N-(2-phenylethyl)prop-2-en-1-amine
Names & synonyms
37929-85-4Benzeneethanamine, N-methyl-N-2-propenyl-N-methyl-N-(2-phenylethyl)prop-2-en-1-amineDTXSID50469683
Database identifiers
- CAS
37929-85-4- PubChem CID
- 11629679
- DTXSID
DTXSID50469683- Nikkaji
- J729.143D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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