2-Bromo-N-isopropylacetamide - CAS 75726-96-4

Catalog:	BB035391
Product Name:	2-Bromo-N-isopropylacetamide
CAS:	75726-96-4
Synonyms:	2-Bromo-N-isopropyl-acetamide; Acetamide, 2-bromo-N-(1-methylethyl)-; N-isopropylbromoacetamide

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Catalog	Size	Price	Stock	Quantity
BB035391	100 g	$498	In stock

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Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-N-propan-2-ylacetamide
Description:	2-Bromo-N-isopropylacetamide is an intermediate of Belumosudil.
Molecular Weight:	180.04
Molecular Formula:	C5H10BrNO
Canonical SMILES:	CC(C)NC(=O)CBr
InChI:	InChI=1S/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
InChI Key:	ZLDCRYWMEQJDGW-UHFFFAOYSA-N
Boiling Point:	265.834 °C at 760 mmHg
Melting Point:	63-64 °C
Purity:	98%
Density:	1.379 g/cm³
MDL:	MFCD06800256
LogP:	1.29680

Publication Number	Title	Priority Date
WO-2021085526-A1	Biochip and detection method	20191031
US-2020290998-A1	Novel imidazole-pyrazole derivatives	20190308
TW-202100522-A	Novel imidazole-pyrazole derivatives	20190308
US-2020102324-A1	Udp glycosyltransferase inhibitors and methods of use	20181001
TW-202035419-A	Udp glycosyltransferase inhibitors and methods of use	20181001

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[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
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	82.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.99458
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.99458
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1