(1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
Properties
- Molecular formula
- C13H19NO
- Molar mass
- 205.30 g/mol
- Exact mass
- 205.1467 Da
- logP
- 2.20Crippen estimate
- Polar surface area
- 23.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
- Stereocentres
- R, Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
123620-80-4SMILES
C[C@H]([C@H](C1=CC=CC=C1)O)N2CCCC2InChIKey
FZVHJGJBJLFWEX-DGCLKSJQSA-NInChI
InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
Work with (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol
Similar compounds
N-Methylephedrine552-79-461 % similar
(R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-355 % similar
(S,S)-(-)-Hydrobenzoin2325-10-248 % similar
(R,R)-Hydrobenzoin52340-78-048 % similar
Rel-(1R,2S)-1,2-Diphenyl-1,2-ethanediol579-43-148 % similar
Hydrobenzoin655-48-148 % similar
(+)-Phenylpropanolamine37577-28-946 % similar
(-)-Phenylpropanolamine492-41-146 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.