[(2S)-1-Benzylpyrrolidin-2-yl]methanol
Properties
- Molecular formula
- C12H17NO
- Molar mass
- 191.27 g/mol
- Exact mass
- 191.1310 Da
- logP
- 1.64Crippen estimate
- Polar surface area
- 23.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
Aggregated from 41 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
53912-80-4SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)COInChIKey
ZAIQBJPTOXDDKA-LBPRGKRZSA-NInChI
InChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (S)-(-)-1-Benzyl-2-pyrrolidinemethanol
Work with [(2S)-1-Benzylpyrrolidin-2-yl]methanol
Similar compounds
(S)-(+)-2-Dibenzylamino-3-phenyl-1-propanol111060-52-762 % similar
1-(Phenylmethyl)-4-piperidinemethanol67686-01-551 % similar
N-Benzyl-L-proline31795-93-451 % similar
Cbz-L-prolinol6216-63-349 % similar
4-(Phenylmethyl)-2-morpholinemethanol40987-24-445 % similar
(S)-1-Benzyl-3-hydroxypiperidine91599-79-045 % similar
(3R)-1-(Phenylmethyl)-3-piperidinol91599-81-445 % similar
4-N-Benzyl-2-hydroxymethylpiperazine85817-34-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.