5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-alpha-phenyl-, hydrochloride
Basic information
- CAS
51490-45-0- Standard SMILES
C[NH+](C)C(c1ccccc1)c1ccc2c(c1)CCCCC2.[Cl-]- InChIKey
CDLXUCPRSQYRDM-UHFFFAOYSA-N- Molecular formula
- C20H26ClN
- Average molar mass
- 315.9 g/mol
- Monoisotopic mass
- 315.1753775
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-alpha-phenyl-, hydrochloride
- IUPAC
- dimethyl-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]azanium chloride
Names & synonyms
5H-Benzocycloheptene-2-methanamine, 6,7,8,9-tetrahydro-N,N-dimethyl-alpha-phenyl-, hydrochloride51490-45-0N,N-Dimethyl-alpha-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)benzylamine hydrochlorideRefChem:305361
Database identifiers
- CAS
51490-45-0- PubChem CID
- 40037
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 305
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Compound notes
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