Basic information
- CAS
89141-65-1- Standard SMILES
CC1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N(C)C1=O- InChIKey
ASEJDTDWRXVAHE-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Names & identifiers
- Preferred name
- 1,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
- IUPAC
- 1,3-dimethyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
- English name
- (±)-3-methyl Nimetazepam
- Molecular formula
- C17H15N3O3
- Molecular weight
- 309.32
Names & synonyms
89141-65-11,3-Dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1,3-DIMETHYL-7-NITRO-5-PHENYL-RefChem:10528383-Methyl MimetazepamBRN 5612109(?)-3-methyl NimetazepamSCHEMBL3783696DTXSID501008668HY-150343( inverted exclamation markA)-3-Methyl nimetazepam1,3-dihydro-1,3-dimethyl-5-phenyl-7-nitro-2h-1,4-benzodiazepin-2-one
Show more names
(±)-3-methyl Nimetazepam
1,3-Dimethyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one(+/-)-3-methyl Nimetazepam; 1,3-dihydro-1,3-dimethyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
89141-65-1- PubChem CID
- 55909
- DTXSID
DTXSID501008668
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Melting point
- 152 · 152-153 °C(Solvent: Ethanol)
- Boiling point
- 537.147 · 537.147±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.304 · 1.304±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Chloroform: SolubleDMSO: Soluble
- pka
- 3.456 · 3.456±0.50(predicted)
Chemistry & industry
Applications
Description(±)-3-methyl Nimetazepam (Item No. 38630) is an analytical reference standard categorized as a benzodiazepine. This product is intended for research and forensic applications. WARNING This product is not for human or veterinary use.
Suppliers1 total
Cayman Chemical Company[email protected]
Related reactions
0 records
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Compound notes
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