Basic information
- CAS
2164-13-8- Standard SMILES
CCC(C)OC(=O)Nc1cccc(Cl)c1- InChIKey
CURLHBZYTFVCRG-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- sec-Butyl N-(3-chlorophenyl)carbamate
- IUPAC
- butan-2-yl N-(3-chlorophenyl)carbamate
- English name
- butan-2-yl N-(3-chlorophenyl)carbamate
- Molecular formula
- C11H14ClNO2
- Molecular weight
- 227.69
Names & synonyms
BCPC2164-13-8sec-Butyl N-(3-chlorophenyl)carbamateBCPC [ISO]BP 92N91I87D2BNSC-2475NSC-74793Carbanilic acid, sec-butyl esterbutan-2-yl N-(3-chlorophenyl)carbamateUNII-2N91I87D2BBP-9
Show more names
N-(3-Chlorophenyl)carbamic acid 1-methylpropyl esterCarbamic acid, N-(3-chlorophenyl)-, 1-methylpropyl ester
SCHEMBL1412533Carbamic acid,N-(3-chlorophenyl)-, 1-methylpropyl esterSCHEMBL31073677DTXSID90874212NSC2475NSC 2475NSC74793NSC 74793
Database identifiers
- CAS
2164-13-8- PubChem CID
- 16561
- DTXSID
DTXSID90874212- UNII
- 2N91I87D2B
- Nikkaji
- J7.343A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 269.4 · 269.4±23.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- pka
- 13.19 · 13.19±0.70(Predicted)
- FDA UNII
- 2 N91I87D2B · 2N91I87D2B
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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