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3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid

3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid

CAS Number: 181289-15-6

Molecular Formula: C9H17NO3

Asymmetric Synthesis Pregabalin IntermediatesIntermediate (S)-Pregabalin SynthesisPregabalin Impurity 10 Reference StandardChiral Resolution sobutylglutaric Acid MonoamideAPIs Hofmann Rearrangement PrecursorBuy Isobutylglutarmonoamide BulkCAS Number (Racemic) 181289-15-6CAS (Racemic): 181289-15-6CAS (S-Isomer) 181289-34-9CAS (R-Isomer) 181289-33-8

Synonyms

  • 181289-15-6
  • 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
  • 3-Carbamoymethyl-5-methylhexanoic acid
  • 3-(Carbamoylmethyl)-5-methylhexanoic acid
  • Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-
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3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid Specifications

CAS Number
181289-15-6
Molecular Formula
C9H17NO3
Molecular Weight
187.24
IUPAC Name
3-(2-amino-2-oxoethyl)-5-methylhexanoic acid
Canonical SMILES
CC(C)CC(CC(=O)N)CC(=O)O
InChI Key
NPDKTSLVWGFPQG-UHFFFAOYSA-N
InChI
1S/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)
PubChem CID
10867083
HSN No
29241900
Molecular Weight
187.24
Melting Point
106-108°C
Boiling Point (Predicted)
401.929±28.00°C Press: 760.00 Torr
Density (Predicted)
1.081±0.06 g/cm3 Temp: 25°C; Press: 760 Torr
pKa (Predicted)
4.684±0.10 pkaType: Most Acidic; Temp: 25°C
Hazard Classes and Categories
Skin Irrit. 2 (100%), Eye Irrit. 2A (100%), STOT SE 3 (100%)
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
  1. 181289-15-6
  2. 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
  3. 3-Carbamoymethyl-5-methylhexanoic acid
  4. 3-(Carbamoylmethyl)-5-methylhexanoic acid
  5. Hexanoic acid, 3-(2-amino-2-oxoethyl)-5-methyl-

Minimum Order Quantity

25 kg (evaluation) · 1 MT (commercial)

Lead Time

3 – 5 weeks estimated

Delivery Terms

FOB*

Packaging

20 L pails, 200 L HDPE drums, 1000 L IBC

US Availability

US Facility Inventory

Documentation

US SDS · COA · TDS · Specification sheet

US Regulatory & Quality Information

TSCA status*

US SDS / HazCom*

GHS classification*

ISO 9001:2015 site*

DOT shipping classification*

FDA status*

EPA status*

California Prop 65*

Reliable US supply chain

Regulatory compliance

On-time delivery

Technical expert support

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