2-(((Aminocarbonyl)oxy)methyl)-2,3-dimethylpentyl N-(1-methylethyl)carbamate
Basic information
- CAS
25269-04-9- Standard SMILES
CCC(C)C(C)(COC(N)=O)COC(=O)NC(C)C- InChIKey
CBDPCXYQNVDTMW-UHFFFAOYSA-N- Molecular formula
- C13H26N2O4
- Average molar mass
- 274.36 g/mol
- Monoisotopic mass
- 274.18925731
Overview
structure
Names & identifiers
- Preferred name
- 2-(((Aminocarbonyl)oxy)methyl)-2,3-dimethylpentyl N-(1-methylethyl)carbamate
- IUPAC
- [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
- English name
- Nisobamate
- Molecular formula
- C13H26N2O4
- Molecular weight
- 274.36
Names & synonyms
NISOBAMATE25269-04-9NisobamatoNisobamatumW-101547OD817EW2Carbamic acid, (1-methylethyl)-, 2-(((aminocarbonyl)oxy)methyl)-2,3-dimethylpentyl ester2-(Hydroxymethyl)-2,3-dimethylpentyl isopropylcarbamate carbamate(ester)2-sec-butyl-N-isopropyl-2-methyl-1,3-propanediol dicarbamateRefChem:9089462-(((Aminocarbonyl)oxy)methyl)-2,3-dimethylpentyl N-(1-methylethyl)carbamate[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
Show more names
N-Isopropylcarbamic acid 2-(carbamoyloxymethyl)-2,3-dimethylpentyl esterN-(1-Methylethyl)carbamic acid 2-[[(aminocarbonyl)oxy]methyl]-2,3-dimethylpentyl esterCarbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2,3-dimethylpentyl ester
W 1015Nisobamate [USAN:INN]Nisobamatum [INN-Latin]Nisobamato [INN-Spanish]UNII-47OD817EW2W1015NISOBAMATE [INN]Nisobamate (USAN/INN)
Database identifiers
- CAS
25269-04-9- PubChem CID
- 31767
- DTXSID
DTXSID30865200- ChEMBL
CHEMBL2106824- UNII
- 47OD817EW2
- Nikkaji
- J20.376I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 78 · 78-80 °C
- Boiling point
- 429.5 · 429.5±28.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 12.47 · 12.47±0.46(Predicted)
- FDA UNII
- 47 OD817EW2 · 47OD817EW2
Chemistry & industry
Applications
UsesTranquilizer (minor); sedative-hypnotic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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