Basic information
- CAS
63884-90-2- Standard SMILES
CCN(CCCl)C(=O)Oc1cc(C)c(N=O)c(C)c1- InChIKey
JPXXVPJIMCOOSD-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0927701
Names & identifiers
- Preferred name
- Carbamic acid, N-(2-chloroethyl)-N-ethyl-, 4-nitroso-3,5-xylyl ester
- IUPAC
- (3,5-dimethyl-4-nitrosophenyl) N-(2-chloroethyl)-N-ethylcarbamate
- English name
- N-(2-Chloroethyl)-N-ethylcarbamic acid 4-nitroso-3,5-xylyl ester
- Molecular formula
- C13H17ClN2O3
- Molecular weight
- 284.74
Names & synonyms
63884-90-2TL 1076CARBAMIC ACID, N-(2-CHLOROETHYL)-N-ETHYL-, 4-NITROSO-3,5-XYLYL ESTERDTXSID10213422NSC 72206RefChem:332637DTXCID10135913NSC72206NSC-72206N-(2-CHLOROETHYL)-N-ETHYLCARBAMIC ACID 4-NITROSO-3,5-XYLYL ESTERDB-2213043,5-Dimethyl-4-nitrosophenyl (2-chloroethyl)(ethyl)carbamate
Show more names
TL-1076Carbamic acid, (2-chloroethyl)ethyl-, 3,5-dimethyl-4-nitrosophenyl ester (9CI)
Database identifiers
- CAS
63884-90-2- PubChem CID
- 44976
- DTXSID
DTXSID10213422- Nikkaji
- J67.545H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Density
- 1.2772 · 1.2772 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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