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181289-15-6

3-Carbamoymethyl-5-methylhexanoic acid

CAS: 181289-15-6

Molecular Formula: C9H17NO3

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181289-15-6 - Names and Identifiers

Name 3-Carbamoymethyl-5-methylhexanoic acid
Synonyms 3-Carbamoymethyl-5-m
Pregabalin intermediate
3-Carbamoymethyl-5-methylhexanoic acid
()-3-(AMIOMETHYL)-5-METHYLHEXANOIC ACID
3-(Carbamoymethyl)-5-methylhexanoic acid
3-(Carbamoylmethyi-5-methyl hexanoic acid
(±)-3-Carbamoymethyl-5-methylhexanoic acid
(2-aMino-2-oxoethyl)-5-Methylhexanoic acid
3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
(±)-3-(Carbamoymethyl)-5-methylhexanoic acid
Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-
(R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
3-Carbamoymethyl-5-methylhexanoic acid (Pregabalin)
Racemic 3-(2-Amino-2-oxoethyl)-5-methyl hexanoic acid
CAS 181289-15-6
EINECS 605-922-2
InChI InChI=1/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)

181289-15-6 - Physico-chemical Properties

Molecular FormulaC9H17NO3
Molar Mass187.24
Density1.080±0.06 g/cm3(Predicted)
Melting Point106-108°C
Boling Point401.9±28.0 °C(Predicted)
Flash Point196.9°C
Solubility DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Vapor Presure1.39E-07mmHg at 25°C
AppearanceCrystalline powder
ColorWhite to Off-White
pKa4.68±0.10(Predicted)
Storage ConditionSealed in dry,Room Temperature
Refractive Index1.475
Physical and Chemical PropertiesMelting point 106-108°C
UseUsed as an intermediate in the synthesis of pregabalin.

181289-15-6 - Reference Information

Use 3-(carbamoylmethyl)-5-methylhexanoic acid is a pregabalin, a GABA analog, used as an intermediate for anticonvulsants.
Used as an intermediate in the synthesis of pregabalin.
Last Update：2024-04-09 21:54:55
181289-15-6
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