(S)-5-(Aminomethyl)-2-pyrrolidinone - CAS 145414-31-9

Catalog:	BB009935
Product Name:	(S)-5-(Aminomethyl)-2-pyrrolidinone
CAS:	145414-31-9
Synonyms:	(5S)-5-(aminomethyl)-2-pyrrolidinone; (5S)-5-(aminomethyl)pyrrolidin-2-one

Technical Data

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Computed Properties

IUPAC Name:	(5S)-5-(aminomethyl)pyrrolidin-2-one
Description:	(S)-5-(Aminomethyl)-2-pyrrolidinone (CAS# 145414-31-9) is a useful research chemical.
Molecular Weight:	114.15
Molecular Formula:	C5H10N2O
Canonical SMILES:	C1CC(=O)NC1CN
InChI:	InChI=1S/C5H10N2O/c6-3-4-1-2-5(8)7-4/h4H,1-3,6H2,(H,7,8)/t4-/m0/s1
InChI Key:	GFOAHABINHRDKL-BYPYZUCNSA-N
Boiling Point:	313.9 °C at 760 mmHg
Density:	1.076 g/cm³
LogP:	0.25280

Publication Number	Title	Priority Date
CN-112479988-A	Substituted biphenyl compound, preparation method, application and pharmaceutical composition thereof	20201209
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
US-2021130325-A1	Heteroaryl-biphenyl amides for the treatment of pd-l1 diseases	20191016
US-2021130347-A1	Heteroaryl-biphenyl amines for the treatment of pd-l1 diseases	20191016
WO-2021076688-A1	Heteroaryl-biphenyl amines for the treatment of pd-l1 diseases	20191016

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	114.079312947
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	114.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3