Basic information
- CAS
69353-13-5- Standard SMILES
CCOC(=O)NNC(C)c1ccc(Cl)cc1- InChIKey
FUDNZWLAFXGUSR-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2O2
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.0822054
Names & identifiers
- Preferred name
- Carbazic acid, 3-(p-chloro-alpha-methylbenzyl)-, ethyl ester
- IUPAC
- ethyl N-[1-(4-chlorophenyl)ethylamino]carbamate
- English name
- 3-(p-Chloro-α-methylbenzyl)carbazic acid ethyl ester
- Molecular formula
- C11H15ClN2O2
- Molecular weight
- 242.7
Names & synonyms
Ethyl 3-(p-chloro-alpha-methylbenzyl)carbazate69353-13-5BRN 0749294CARBAZIC ACID, 3-(p-CHLORO-alpha-METHYLBENZYL)-, ETHYL ESTERRefChem:333220ethyl N-[1-(4-chlorophenyl)ethylamino]carbamateDTXSID10989099Ethyl hydrogen [1-(4-chlorophenyl)ethyl]carbonohydrazonate3-(p-Chloro-α-methylbenzyl)carbazic acid ethyl esterHydrazinecarboxylic acid, 2-[1-(4-chlorophenyl)ethyl]-, ethyl ester
Database identifiers
- CAS
69353-13-5- PubChem CID
- 50413
- DTXSID
DTXSID10989099- Nikkaji
- J69.468A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 86 · 86-88 °C(Solv: ethanol, 50% (64-17-5))
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 10.31 · 10.31±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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