Basic information
- CAS
6328-98-9- Standard SMILES
COc1cccc(NC(=O)OC(C)C)c1- InChIKey
RYNZNNRQNXTQDO-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Isopropyl N-(3-methoxyphenyl)carbamate
- IUPAC
- propan-2-yl N-(3-methoxyphenyl)carbamate
Names & synonyms
ISOPROPYL N-(3-METHOXYPHENYL)CARBAMATERefChem:792206665-692-46328-98-9propan-2-yl(3-methoxyphenyl)carbamateNSC44025DTXSID10286171NSC-44025AKOS024334597propan-2-yl (3-methoxyphenyl)carbamate
Database identifiers
- CAS
6328-98-9- PubChem CID
- 239188
- DTXSID
DTXSID10286171- EC Number
- 665-692-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
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, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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