Basic information
- CAS
64011-22-9- Standard SMILES
CC(COC(=O)Nc1ccccc1)(COC(=O)Nc1ccccc1)[N+](=O)[O-]- InChIKey
JOMGEIDEFSAPMF-UHFFFAOYSA-N- Molecular formula
- C18H19N3O6
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.12738533
Names & identifiers
- Preferred name
- Carbamic acid, phenyl-, ester with 2-methyl-2-nitro-1,3-propanediol (2:1)
- IUPAC
- [2-methyl-2-nitro-3-(phenylcarbamoyloxy)propyl] N-phenylcarbamate
Names & synonyms
2-Nitro-2-methyl-1,3-propanediol-bis(N-phenylcarbamate)64011-22-9CARBAMIC ACID, PHENYL-, ESTER with 2-METHYL-2-NITRO-1,3-PROPANEDIOL (2:1)DTXSID80213994RefChem:332725DTXCID101364852-methyl-2-nitropropane-1,3-diyl bis(phenylcarbamate)
Database identifiers
- CAS
64011-22-9- PubChem CID
- 46336
- DTXSID
DTXSID80213994
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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