4-Hydroxy-N, N-dimethylbutanamide

CAT: 0926-TAA19025-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA19025-01Size:50 mg

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CAS Number

18190-25-5

MDL Number

MFCD16073601

Smiles

CN (C) C (=O) CCCO

Molecular Formula

C6H13NO2

Molecular Weight

131.17 g/mol

Controlled

Chemical Information

4-hydroxy-N,N-dimethylbutanamide

CAS Number	18190-25-5
PubChem CID	13000816
IUPAC Name	4-hydroxy-N,N-dimethylbutanamide
Molecular Formula	C6H13NO2
Molecular Weight	131.17
XLogP	-0.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	91

SMILES

CN(C)C(=O)CCCO

InChI

InChI=1S/C6H13NO2/c1-7(2)6(9)4-3-5-8/h8H,3-5H2,1-2H3

InChIKey

WIKMJRHPNGPQRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18190-25-5

CID: 13000816

Formula: C6H13NO2

MW: 131.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.17
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	131.094628657
Monoisotopic Mass	131.094628657
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PDA20916-01	(3R) -3-Hydroxy-N, N-dimethylbutanamide
CHB27753-01	N-Hydroxy-3,3-dimethylbutanamide
PLA62591-01	4-Methoxy-N, N-dimethylbutanamide
GGA33781-01	4-Amino-N, N-dimethylbutanamide hydrochloride
XTB82587-01	2-Bromo-N-[ (4-methoxyphenyl) methyl]-N,3-dimethylbutanamide
YZB27240-01	4- (3-Amino-1H-pyrazol-1-yl) -N, N-dimethylbutanamide
MKD14605-01	(2R) -2-Amino-N, N-dimethylbutanamide hydrochloride
RQB50873-01	2-Bromo-N-cyclohexyl-N,3-dimethylbutanamide
EAA41788-01	2,4-Dihydroxy-N- (2-hydroxyethyl) -3,3-dimethylbutanamide
NHA89078-01	2-Amino-N,3-dimethylbutanamide hydrochloride

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