GABAPENTIN

Description

GABAPENTIN · CAS 60142-96-3 · C9H17NO2. UNII 6CW7F3G59X. Melting Point: 162-166 °C; also reported as 165-167 °C; Melting Point: 165 - 167 °C; Solubility: >100mg/mL.

Identification

CAS Registry Number	60142-96-3
PubChem CID	3446
Molecular formula	C9H17NO2
IUPAC name	2-[1-(aminomethyl)cyclohexyl]acetic acid
UNII (FDA)	6CW7F3G59X

Computed Descriptors

Molecular Weight	171.24
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	171.125928785
Monoisotopic Mass	171.125928785
Topological Polar Surface Area	63.3
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Melting Point	162-166 °C; also reported as 165-167 °C
Melting Point	165 - 167 °C
Solubility	>100mg/mL
Solubility	In water, 4.49X10+3 mg/L at 25 °C
LogP	1.25
LogP	log Kow = -1.10
LogP	-1.10
Dissociation Constants	3.7
Collision Cross Section	139.7 Ų [M+H]+

Physical description & handling notes

• Solid
• White to off-white crystalline solid; crystals from ethanol/ether
• Bitter
• Freely soluble in water
• Freely soluble in alkaline and acidic solutions
• >25.7 [ug/mL] (The mean of the results at pH 7.4)

Regulatory Status

GHS notification summary	30.8% (32 / 104)

GHS Hazard Classification

GHS notification summary	30.8% (32 / 104)
Reported hazard statements	H315 (57.7%), H319 (66.3%), H335 (59.6%), H360 (54.8%)

Documented Uses

• Analgesics; Anti-Anxiety Agents; Anticonvulsants; Antimanic Agents; Antiparkinson Agents; Calcium Channel Blockers; Excitatory Amino Acid Antagonists
• Use (kg) in Switzerland (2009): >2500
• Use (kg; approx.) in Germany (2009): >50000
• Use (kg; exact) in Germany (2009): 70059
• Consumption (g per capita) in Switzerland (2009): 0.32
• Consumption (g per capita; approx.) in Germany (2009): 0.61

Synonyms

gabapentin; 60142-96-3; Neurontin; 1-(Aminomethyl)cyclohexaneacetic acid; Gabapentine; 2-[1-(aminomethyl)cyclohexyl]acetic acid; Aclonium; Gabapetin; Gabapentinum; gabapentina; Gabapentino; Gralise; Cyclohexaneacetic acid, 1-(aminomethyl)-; Goe-3450; Fanatrex; 2-(1-(aminomethyl)cyclohexyl)acetic acid

Frequently Asked Questions

What are the CAS number and molecular formula of GABAPENTIN?

CAS 60142-96-3; molecular formula C9H17NO2; molecular weight — g/mol.

What other names is GABAPENTIN known by?

gabapentin, 60142-96-3, Neurontin, 1-(Aminomethyl)cyclohexaneacetic acid, Gabapentine, 2-[1-(aminomethyl)cyclohexyl]acetic acid.

Is GABAPENTIN classified as hazardous?

30.8% of GHS notifications report no hazard classification (32 of 104).

What are the key physical properties of GABAPENTIN?

Melting Point: 162-166 °C; also reported as 165-167 °C; Melting Point: 165 - 167 °C; Solubility: >100mg/mL; Solubility: In water, 4.49X10+3 mg/L at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.