N-Methyl-N-propylcarbamoyl Chloride - CAS 51493-02-8

Catalog:	BB027460
Product Name:	N-Methyl-N-propylcarbamoyl Chloride
CAS:	51493-02-8
Synonyms:	N-methyl-N-propylcarbamoyl chloride; N-methyl-N-propylcarbamoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	N-methyl-N-propylcarbamoyl chloride
Description:	N-Methyl-N-propylcarbamoyl Chloride (CAS# 51493-02-8) is a useful research chemical.
Molecular Weight:	135.59
Molecular Formula:	C5H10ClNO
Canonical SMILES:	CCCN(C)C(=O)Cl
InChI:	InChI=1S/C5H10ClNO/c1-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChI Key:	YEMRRHHMLASGRQ-UHFFFAOYSA-N
LogP:	1.68700

Publication Number	Title	Priority Date
EP-3821947-A1	Heterocyclic trpml1 agonists	20191113
WO-2021094974-A1	Heterocyclic trpml1 agonists	20191113
US-2020268762-A1	7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of liver cancer	20190226
CN-111801100-A	7-substituted sulfoxy-purinone compounds and derivatives for the treatment and prevention of liver cancer	20180228
KR-20200128414-A	7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prevention of liver cancer	20180228

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	84.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.0450916
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7