Basic information
- CAS
3686-18-8- Standard SMILES
CC(C)(C#N)OC(=O)Nc1ccccc1- InChIKey
RFHMRCAOOQCCTE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Overview
See also: 1-Cyano-1-methylethyl N-phenylcarbamate (annotation moved to).
Names & identifiers
- Preferred name
- 1-Cyano-1-methylethyl phenylcarbamate
- IUPAC
- 2-cyanopropan-2-yl N-phenylcarbamate
- English name
- 1-cyano-1-methylethyl N-phenylcarbamate
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.22518
Names & synonyms
3686-18-81-cyano-1-methylethyl phenylcarbamateNSC440192-cyanopropan-2-yl N-phenylcarbamate5477-15-6CBMicro_021278Cambridge id 5477156DTXSID90958061CCG-8967NSC-44019AKOS022098253BIM-0021432.P001
Show more names
1-cyano-1-methylethyl N-phenylcarbamate
2-Cyanopropan-2-yl hydrogen phenylcarbonimidateAB00086469-01SR-01000210371SR-01000210371-1Propanenitrile, 2-methyl-2-[[(phenylamino)carbonyl]oxy]-
Database identifiers
- CAS
3686-18-8- PubChem CID
- 239183
- DTXSID
DTXSID90958061
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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