N-(5-Hydroxypentyl)-1-phenylcyclohexylamine
Basic information
- CAS
77220-89-4- Standard SMILES
O=C(O)C(=O)O.OCCCCCNC1(c2ccccc2)CCCCC1- InChIKey
ZNQCRTKFSRDKPC-UHFFFAOYSA-N- Molecular formula
- C19H29NO5
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.20457303
Overview
phencyclidine metabolite; structure in first source
Names & identifiers
- Preferred name
- N-(5-Hydroxypentyl)-1-phenylcyclohexylamine
- IUPAC
- oxalic acid;5-[(1-phenylcyclohexyl)amino]pentan-1-ol
- English name
- N-(5-hydroxypentyl)-1-phenylcyclohexylamine
- Molecular weight
- 0
Names & synonyms
N-5-HppaN-(5-Hydroxypentyl)-1-phenylcyclohexylamine77220-89-41-Pentanol, 5-((1-phenylcyclohexyl)amino)-, ethanedioate (1:1) (salt)RefChem:162237oxalic acid;5-[(1-phenylcyclohexyl)amino]pentan-1-olDTXSID00998458Oxalic acid--5-[(1-phenylcyclohexyl)amino]pentan-1-ol (1/1)
Database identifiers
- CAS
77220-89-4- PubChem CID
- 196498
- DTXSID
DTXSID00998458
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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