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3-(Methylsulfonyl)-1-propylamine Hydrochloride

3-(Methylsulfonyl)-1-propylamine Hydrochloride - CAS 157825-88-2

Catalog:	BB011357
Product Name:	3-(Methylsulfonyl)-1-propylamine Hydrochloride
CAS:	157825-88-2
Synonyms:	3-methylsulfonyl-1-propanamine;hydrochloride; 3-methylsulfonylpropan-1-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-methylsulfonylpropan-1-amine;hydrochloride
Description:	3-(Methylsulfonyl)-1-propylamine Hydrochloride (CAS# 157825-88-2) is used in the synthesis of acetyl coenzyme A analogs.
Molecular Weight:	173.66
Molecular Formula:	C4H12ClNO2S
Canonical SMILES:	CS(=O)(=O)CCCN.Cl
InChI:	InChI=1S/C4H11NO2S.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3;1H
InChI Key:	VJABSSGXEWXCLY-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2021050612-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190909
WO-2020252396-A1	Compositions and methods for the treatment of respiratory syncytial virus	20190613
WO-2020014332-A1	Adenosine receptor binding compounds	20180710
CN-112423758-A	Adenosine receptor binding compounds	20180710
EP-3820474-A1	Adenosine receptor binding compounds	20180710

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[1879-16-9]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.0277275
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.0277275
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0