4-Sulfamoylbutyric acid - CAS 175476-52-5

Catalog:	BB013145
Product Name:	4-Sulfamoylbutyric acid
CAS:	175476-52-5
Synonyms:	4-sulfamoylbutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-sulfamoylbutanoic acid
Description:	A solid phase organic linker for synthesis of tethering carboxylic acids to support.
Molecular Weight:	167.18
Molecular Formula:	C4H9NO4S
Canonical SMILES:	C(CC(=O)O)CS(=O)(=O)N
InChI:	InChI=1S/C4H9NO4S/c5-10(8,9)3-1-2-4(6)7/h1-3H2,(H,6,7)(H2,5,8,9)
InChI Key:	OMPGKWICGUBROA-UHFFFAOYSA-N
Boiling Point:	419.6 ℃ at 760 mmHg
Melting Point:	-90 ℃ (dec.)
Purity:	98 %
Density:	1.467 g/cm³
Appearance:	White to beige crystalline powder
Storage:	Store at 0-5 ℃
MDL:	MFCD01075007
LogP:	0.92080

Publication Number	Title	Priority Date
WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
EP-3763726-A1	Compounds comprising a fibroblast activation protein ligand and use thereof	20190708
WO-2020247973-A1	Methods and compositions for treating cancer with cancer-targeted adjuvants	20190603
WO-2020152367-A1	Inhibitor of dux4 and uses thereof	20190125
JP-2021525706-A	Tricyclic heterocyclic compound as a STING activator	20180525

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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:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02522894
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.02522894
Rotatable Bond Count:	4
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2