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

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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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid 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