2-Amino-2,3-dimethylbutanamide - CAS 40963-14-2

Catalog:	BB024734
Product Name:	2-Amino-2,3-dimethylbutanamide
CAS:	40963-14-2
Synonyms:	2-amino-2,3-dimethylbutanamide; 2-amino-2,3-dimethylbutanamide

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Computed Properties

IUPAC Name:	2-amino-2,3-dimethylbutanamide
Description:	2-Amino-2,3-dimethylbutanamide (CAS# 40963-14-2) is an important intermediate in the synthesis of potent imadazoline herbicides. In addition, it is used to prepare new chiral ligands.
Molecular Weight:	130.19
Molecular Formula:	C6H14N2O
Canonical SMILES:	CC(C)C(C)(C(=O)N)N
InChI:	InChI=1S/C6H14N2O/c1-4(2)6(3,8)5(7)9/h4H,8H2,1-3H3,(H2,7,9)
InChI Key:	YCPQUHCGFDFLSI-UHFFFAOYSA-N
Boiling Point:	242.7 °C at 760 mmHg
Density:	0.982 g/cm³
MDL:	MFCD02682920
LogP:	1.24570

Publication Number	Title	Priority Date
CN-112684025-A	Method for detecting 2-amino-2, 3-dimethylbutyronitrile by high performance liquid chromatography and application thereof	20201203
CN-112342252-A	Preparation method of 2-amino-2, 3-dimethylbutyramide	20201109
CN-111807991-A	Method for synthesizing 2-amino-2, 3-dimethylbutyronitrile by using microchannel reactor	20200729
CN-111662938-A	Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound	20200623
CN-111662938-B	Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound	20200623

PMID	Publication Date	Title	Journal
21720774	20120101	Enzymatic production of 2-amino-2,3-dimethylbutyramide by cyanide-resistant nitrile hydratase	Journal of industrial microbiology & biotechnology
21516314	20110901	Biosynthesis of 2-amino-2,3-dimethylbutyramide by nitrile hydratase from a newly isolated cyanide-resistant strain of Rhodococcus qingshengii	Biotechnology letters
21579361	20100508	2-Amino-2,3-dimethyl-butanamide	Acta crystallographica. Section E, Structure reports online
18007453	20040630	Formation of the imidazolinone ring under mild conditions in the presence of sodium hydride	Molecules (Basel, Switzerland)

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Carbonyl Compounds

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[1006443-01-1]
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GHS Hazard Statement:	H302 (100%): 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:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.110613074
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	69.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2