methyl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3lambda5-benzodiazaphosphepin-3-yl)carbamate
Basic information
- CAS
76990-23-3- Standard SMILES
COC(=O)NP1(=O)NCc2ccccc2CN1- InChIKey
IOKIHXASUZGEPM-UHFFFAOYSA-N- Molecular formula
- C10H14N3O3P
- Average molar mass
- 255.21 g/mol
- Monoisotopic mass
- 255.07727831
Names & identifiers
- Preferred name
- methyl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3lambda5-benzodiazaphosphepin-3-yl)carbamate
- IUPAC
- methyl N-(3-oxo-1,2,4,5-tetrahydro-2,4,3λ5-benzodiazaphosphepin-3-yl)carbamate
Names & synonyms
NSC34791476990-23-3DTXSID70319590NSC-347914Methyl (3-oxo-2,3,4,5-tetrahydro-1H-2,4,3lambda~5~-benzodiazaphosphepin-3-yl)carbamate
Database identifiers
- CAS
76990-23-3- PubChem CID
- 335889
- DTXSID
DTXSID70319590
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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