(S)-1-Benzyl-3-pyrrolidinol - CAS 101385-90-4

Catalog:	BB044166
Product Name:	(S)-1-Benzyl-3-pyrrolidinol
CAS:	101385-90-4
Synonyms:	(S)-1-Benzylpyrrolidin-3-ol; (S)-1-Benzyl-3-hydroxypyrrolidine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(3S)-1-benzylpyrrolidin-3-ol
Description:	(S)-1-Benzyl-3-pyrrolidinol (CAS# 101385-90-4 ) is a useful research chemical.
Molecular Weight:	177.24
Molecular Formula:	C11H15NO
Canonical SMILES:	C1CN(CC1O)CC2=CC=CC=C2
InChI:	InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2/t11-/m0/s1
InChI Key:	YQMXOIAIYXXXEE-NSHDSACASA-N
Purity:	≥ 98 %

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	177.115364102
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.115364102
Rotatable Bond Count:	2
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3