3-Sulfamoylpropionic Acid - CAS 15441-10-8

Catalog:	BB011010
Product Name:	3-Sulfamoylpropionic Acid
CAS:	15441-10-8
Synonyms:	3-sulfamoylpropanoic acid; 3-sulfamoylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-sulfamoylpropanoic acid
Description:	3-Sulfamoylpropionic Acid (CAS# 15441-10-8) is a useful research chemical.
Molecular Weight:	153.16
Molecular Formula:	C3H7NO4S
Canonical SMILES:	C(CS(=O)(=O)N)C(=O)O
InChI:	InChI=1S/C3H7NO4S/c4-9(7,8)2-1-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
InChI Key:	GORVWJURYPIBBC-UHFFFAOYSA-N
Boiling Point:	407.802 °C at 760 mmHg
Density:	1.572 g/cm³
MDL:	MFCD09971516
LogP:	0.53070

Publication Number	Title	Priority Date
US-2020123151-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
WO-2020006315-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
AU-2019295769-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
CA-3104682-A1	Amino acid compounds with unbranched linkers and methods of use	20180627
CN-112689507-A	Amino acid compounds having unbranched linkers and methods of use thereof	20180627

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Related Functional Groups

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.00957888
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.00957888
Rotatable Bond Count:	3
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.6