1,1-Cyclohexanediacetic acid monoamide , 99% , 99189-60-3

Synonym(s):
1-(2-Amino-2-oxoethyl)cyclohexaneacetic acid;1-[(Aminocarbonyl)methyl]cyclohexaneacetic acid;3,3-Pentamethyleneglutaramic acid

CAS NO.：99189-60-3

Empirical Formula: C10H17NO3

Molecular Weight: 199.25

MDL number: MFCD02181086

EINECS: 449-430-4

PRODUCT Properties

• Melting point: 141-146 °C (lit.)
• Boiling point: 443.6±18.0 °C(Predicted)
• Density: 1.135±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 4.72±0.10(Predicted)
• color: White to Off-White
• biological source: human
• InChI: InChI=1S/C10H17NO3/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H2,11,12)(H,13,14)
• InChIKey: QJGSJXLCJRXTRY-UHFFFAOYSA-N
• SMILES: C1(CC(N)=O)(CC(O)=O)CCCCC1
• LogP: 0.73 at 22℃ and pH3
• CAS DataBase Reference: 99189-60-3(CAS DataBase Reference)

Description and Uses

1,1-Cyclohexanediacetic acid monoamide is an impurity of Gabapentin (G117250), an amino acid structurally related to γ-Aminobutyric Acid (GABA), designed to cross the blood brain barrier.?Gabapentin is used as an anticonvulsant.

Safety

• Symbol(GHS): GHS02
• Signal word: Warning
• Hazard statements: H226
• Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
• Hazard Codes: T
• Risk Statements: 61
• Safety Statements: 22-24/25-45-53
• WGK Germany: 3
• HS Code: 29242990