(3S)-1-benzylpyrrolidin-3-amine - CAS 114715-38-7

Catalog:	BB003418
Product Name:	(3S)-1-benzylpyrrolidin-3-amine
CAS:	114715-38-7
Synonyms:	(3S)-1-(phenylmethyl)-3-pyrrolidinamine; (3S)-1-benzylpyrrolidin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	(3S)-1-benzylpyrrolidin-3-amine
Description:	(3S)-1-benzylpyrrolidin-3-amine (CAS# 114715-38-7) is a useful research chemical.
Molecular Weight:	176.263
Molecular Formula:	C11H16N2
Canonical SMILES:	C1CN(CC1N)CC2=CC=CC=C2
InChI:	InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1
InChI Key:	HBVNLKQGRZPGRP-NSHDSACASA-N
Boiling Point:	100-105 °C / 3 mmHg
Density:	1.02 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD00082766
LogP:	1.85780

Publication Number	Title	Priority Date
CN-112174951-A	Pyrrolo [2, 3-b ] pyridine derivatives as selective inhibitors of janus kinase 1	20190702
WO-2021000785-A1	Pyrrolo[2,3-b]pyridine derivatives as selective inhibitors of janus kinase 1	20190702
US-2020172508-A1	Heteroaromatic compounds as vanin inhibitors	20181203
WO-2020114943-A1	Heteroaromatic compounds as vanin inhibitors	20181203
TW-202039461-A	Heteroaromatic compounds as vanin inhibitors	20181203

PMID	Publication Date	Title	Journal
11557374	20010901	Inverse association between bone turnover rate and bone mineral density in community-dwelling men >70 years of age: no major role of sex steroid status	Bone

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Related Functional Groups

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[55727-59-8]
2-(Pyrrolidin-1-ylmethyl)aniline
[1497778-22-9]
Tert-butyl 3-hydroxy-2,2-dimethylpyrrolidine-1-carboxylate
[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[36821-26-8]
Ethyl 2-oxopyrrolidine-3-carboxylate

GHS Hazard Statement:	H314 (14.89%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	176.131348519
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.131348519
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1