5H-Dibenzo(a,d)cyclohepten-delta(sup 5),beta-ethylamine, 10,11-dihydro-N-(2-(aminomethyl)cyclopentyl)-, dihydrochloride
Basic information
- CAS
62469-28-7- Standard SMILES
[Cl-].[Cl-].[NH3+]CC1CCCC1[NH2+]CC=C1c2ccccc2CCc2ccccc21- InChIKey
XGUOGYCAUWLZDW-UHFFFAOYSA-N- Molecular formula
- C23H30Cl2N2
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 404.1786044
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-delta(sup 5),beta-ethylamine, 10,11-dihydro-N-(2-(aminomethyl)cyclopentyl)-, dihydrochloride
- IUPAC
- [2-(azaniumylmethyl)cyclopentyl]-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]azanium dichloride
Names & synonyms
5H-Dibenzo(a,d)cyclohepten-delta(sup 5),beta-ethylamine, 10,11-dihydro-N-(2-(aminomethyl)cyclopentyl)-, dihydrochloride62469-28-7RefChem:305544
Database identifiers
- CAS
62469-28-7- PubChem CID
- 44067
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 431
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Related reactions
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Compound notes
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