Basic information
- CAS
305860-10-0- Standard SMILES
CC(C)OC(=O)NC(Cc1ccccc1)c1ccccc1- InChIKey
MYTUOHIXQFKPEZ-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- (1,2-Diphenyl-ethyl)-carbamic acid isopropyl ester
- IUPAC
- propan-2-yl N-(1,2-diphenylethyl)carbamate
- English name
- (1,2-Diphenyl-ethyl)-carbamic acid isopropyl ester
- Molecular formula
- C18H21NO2
- Molecular weight
- 283.37
Names & synonyms
(1,2-DIPHENYL-ETHYL)-CARBAMIC ACID ISOPROPYL ESTERDTXSID301200692AKOS024343078305860-10-0Propan-2-yl (1,2-diphenylethyl)carbamateCarbamic acid, (1,2-diphenylethyl)-, 1-methylethyl ester
Database identifiers
- CAS
305860-10-0- PubChem CID
- 3759782
- DTXSID
DTXSID301200692- EC Number
- 159-083-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 414.576 · 414.576±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.131 · 12.131±0.46(predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…