2-Bromo-N,N-dimethylacetamide - CAS 5468-77-9

Catalog:	BB028773
Product Name:	2-Bromo-N,N-dimethylacetamide
CAS:	5468-77-9
Synonyms:	2-bromo-N,N-dimethylacetamide; 2-bromo-N,N-dimethylacetamide

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-N,N-dimethylacetamide
Description:	2-Bromo-N,N-dimethylacetamide (CAS# 5468-77-9) is a useful research chemical.
Molecular Weight:	166.02
Molecular Formula:	C4H8BrNO
Canonical SMILES:	CN(C)C(=O)CBr
InChI:	InChI=1S/C4H8BrNO/c1-6(2)4(7)3-5/h3H2,1-2H3
InChI Key:	QPIOVNJLOVNTMW-UHFFFAOYSA-N
Boiling Point:	196.3 °C at 760 mmHg
Density:	1.395 g/cm³
MDL:	MFCD12026683
LogP:	0.46950

Publication Number	Title	Priority Date
CN-112390760-A	FAK-targeting compound and preparation method and application thereof	20201015
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WO-2021183639-A1	Charged ion channel blockers and methods for use	20200311
WO-2021133957-A1	Benzimidazole compounds as hdac6 inhibitors	20191227

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.97893
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5