Amorolfine hydrochloride
Properties
- Molecular formula
- C21H36ClNO
- Molar mass
- 353.98 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
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H411 Toxic to aquatic life with long lasting effects97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501
Identifiers
CAS number
106614-68-0SMILES
CCC(C)(C)C1=CC=C(C=C1)CC(C)CN2C[C@H](O[C@H](C2)C)C.ClInChIKey
XZKWIPVTHGWDCF-KUZYQSSXSA-NInChI
InChI=1S/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.
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