Amorolfine hydrochloride
Properties
- Molecular formula
- C21H36ClNO
- Molar mass
- 353.97 g/mol
- Exact mass
- 353.2485 Da
- logP
- 5.08Crippen estimate
- Polar surface area
- 12.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
- Stereocentres
- R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
78613-38-4SMILES
CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1.ClInChIKey
XZKWIPVTHGWDCF-KUZYQSSXNA-NInChI
InChI=1/C21H35NO.ClH/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22;/h8-11,16-18H,7,12-15H2,1-6H3;1H/t16?,17-,18+;Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, hydrochloride (1:1), (2R,6S)-rel-
- Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, hydrochloride, cis-
- Morpholine, 4-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-2,6-dimethyl-, hydrochloride, (2R,6S)-rel-
- Ro 14-4767/002
Work with Amorolfine hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds