1-Isochromanpropylamine, N,N-dimethyl-1-phenyl-, hydrochloride
Basic information
- CAS
10565-82-9- Standard SMILES
C[NH+](C)CCCC1(c2ccccc2)OCCc2ccccc21.[Cl-]- InChIKey
IMTFBWVBFMZNED-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1702921
Names & identifiers
- Preferred name
- 1-Isochromanpropylamine, N,N-dimethyl-1-phenyl-, hydrochloride
- IUPAC
- dimethyl-[3-(1-phenyl-3,4-dihydroisochromen-1-yl)propyl]azanium chloride
Names & synonyms
1-ISOCHROMANPROPYLAMINE, N,N-DIMETHYL-1-PHENYL-, HYDROCHLORIDE10565-82-9RefChem:1055659LU 3-026Isochroman, 1-(3-dimethylaminopropyl)-1-phenyl-, hydrochloride
Database identifiers
- CAS
10565-82-9- PubChem CID
- 25384
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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