Basic information
- CAS
63716-27-8- Standard SMILES
Cc1ccccc1OCCCOC(N)=O- InChIKey
KLLDCZLNAVUXAE-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Carbamic acid, 3-(o-tolyloxy)propyl ester
- IUPAC
- 3-(2-methylphenoxy)propyl carbamate
- English name
- 3-(2-Methylphenyloxy)propyl=carbamate
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
BRN 3302039CARBAMIC ACID, 3-(o-TOLYLOXY)PROPYL ESTER3-(o-Tolyloxy)-1-propanol carbamate1-Propanol, 3-(o-tolyloxy)-, carbamate63716-27-8DTXSID802131314-06-00-01950 (Beilstein Handbook Reference)RefChem:332282DTXCID801356223-(2-methylphenoxy)propyl carbamate3-(2-Methylphenyloxy)propyl=carbamate1-Propanol, 3-(2-methylphenoxy)-, carbamate (9CI)
Database identifiers
- CAS
63716-27-8- PubChem CID
- 44608
- DTXSID
DTXSID80213131- Nikkaji
- J69.391J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 393 · 393.0±25.0 °C(Predicted)
- Density
- 1.122 · 1.122±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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