[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
Basic information
- CAS
42865-12-3- Standard SMILES
CN(C)C(=O)Nc1cccc(OC(=O)NCCCl)c1- InChIKey
DOJJYZCGRWJBRY-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O3
- Average molar mass
- 285.73 g/mol
- Monoisotopic mass
- 285.0880191
Names & identifiers
- Preferred name
- [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
- IUPAC
- [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
Names & synonyms
42865-12-3[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamateNSC222570DTXSID60310137NSC-222570DS-0074113-[(Dimethylcarbamoyl)amino]phenyl (2-chloroethyl)carbamateCARBAMIC ACID,(2-CHLOROETHYL)-, 3-[[(DIMETHYLAMINO)CARBONYL]AMINO]PHENYL ESTER (9CI)
Database identifiers
- CAS
42865-12-3- PubChem CID
- 312470
- DTXSID
DTXSID60310137
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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