Basic information
- CAS
1471-56-3- Standard SMILES
CCCC(C)(CO)COC(N)=O- InChIKey
YLMQVJBJTFVYNN-UHFFFAOYSA-N- Molecular formula
- C8H17NO3
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.1208434
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-2-methylpentyl carbamate
- IUPAC
- [2-(hydroxymethyl)-2-methylpentyl] carbamate
- English name
- DecarboxaMide MeprobaMate
- Molecular formula
- C8H17NO3
- Molecular weight
- 175.23
Names & synonyms
1471-56-32-(hydroxymethyl)-2-methylpentyl carbamate8A79Y1EPZZDTXSID30296297CARBAMIC ACID, 2-(HYDROXYMETHYL)-2-METHYLPENTYL ESTERRefChem:197630DTXCID20247435Decarboxamide Meprobamate[2-(hydroxymethyl)-2-methylpentyl] carbamateNSC-108719NSC1087191,3-Propanediol,2-methyl-2-propyl-, 1-carbamate
Show more names
NSC 108719Carisoprodol Related CoMpound ACarisoprodol USP Related Compound A2-Methyl-2-propyl-1,3-propanediol MonocarbaMateCarbaMic Acid 2-(HydroxyMethyl)-2-Methylpentyl EsterCarisoprodol Related Compound A (10 mg) (2-hydroxymethyl-2-methylpentyl carbamate)Carisoprodol Related Compound A (2-hydroxymethyl-2-methylpentyl carbamate) (1096597)
SCHEMBL8106200AKOS030241546FD208562-(hydroxymethyl)-2-methylpentylcarbamate[2-(hydroxymethyl)-2-methyl-pentyl] carbamate1,3-Propanediol, 2-methyl-2-propyl-, 1-carbamateQ27270094
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 52 · 52-56°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- White to Pale Yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C8H17NO3/c1-3-4-8(2,5-10)6-12-7(9)11/h10H,3-6H2,1-2H3,(H2,9,11)
- InChIKey
- YLMQVJBJTFVYNN-UHFFFAOYSA-N
- SMILES
- NC(=O)OCC(CO)(CCC)C
- FDA UNII
- 8 A79Y1EPZZ · 8A79Y1EPZZ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2924190002
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesDecarboxaMide MeprobaMate is used in the preparation of Meprobamate (M227750).
Suppliers12 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
绍兴舜邦医药科技有限公司13355710117 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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