1-Benzylpyrrolidin-3-yl-methanol - CAS 5731-17-9

Catalog:	BB029643
Product Name:	1-Benzylpyrrolidin-3-yl-methanol
CAS:	5731-17-9
Synonyms:	(1-benzylpyrrolidin-3-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-benzylpyrrolidin-3-yl)methanol
Description:	1-Benzylpyrrolidin-3-yl-methanol (CAS# 5731-17-9) is a useful research chemical.
Molecular Weight:	191.27
Molecular Formula:	C12H17NO
Canonical SMILES:	C1CN(CC1CO)CC2=CC=CC=C2
InChI:	InChI=1S/C12H17NO/c14-10-12-6-7-13(9-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChI Key:	QPQQBJDSKDWQMJ-UHFFFAOYSA-N
Boiling Point:	274.9 °C at 760 mmHg
Purity:	95 %
Density:	1.082 g/cm³
MDL:	MFCD04038527
LogP:	1.43870

Publication Number	Title	Priority Date
WO-2021115413-A1	Neuromuscular-blocking drug and preparation method therefor	20191211
WO-2021094312-A1	Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds	20191111
CN-109928971-A	The amino tetrahydro pyran class compound and application thereof that aryl replaces	20190314
AU-2018369759-A1	KRas G12C inhibitors	20171115
TW-201938555-A	KRAS G12C inhibitor	20171115

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Related Functional Groups

Alcohols and Derivatives

[62972-93-4]
(Z)-11-Octadecen-1-ol
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[163190-79-2]
2-Bromo-4-methoxybenzyl Alcohol
[189449-41-0]
4-Chloro-3-pyridinemethanol
[1299597-30-0]
5-(3'-Hydroxyphenyl)-γ-hydroxyvaleric acid
[627-38-3]
N-propylhydroxylamine

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[5747-92-2]
Ethyl 1-benzyl-pyrrolidine-3-carboxylate
[98841-68-0]
N-(2-Hydroxybenzoyl)pyrrolidine

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:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.131014166
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.131014166
Rotatable Bond Count:	3
Topological Polar Surface Area:	23.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5