1,1-Cyclohexanediacetic acid mono amide
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: 619-402-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-01 18:09:03
What is 1,1-Cyclohexanediacetic acid mono amide?
Chemical properties
White powder
The Uses of 1,1-Cyclohexanediacetic acid mono amide
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.
General Description
1,1-Cyclohexanediacetic acid monoamide, also known as gabapentin amide, has neurological properties. It is an important intermediate formed during the synthesis of a potential antiepileptic drug, gabapentin.
Properties of 1,1-Cyclohexanediacetic acid mono amide
| 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 |
| CAS DataBase Reference | 99189-60-3(CAS DataBase Reference) |
Safety information for 1,1-Cyclohexanediacetic acid mono amide
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for 1,1-Cyclohexanediacetic acid mono amide
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