Benzyl allyl(2-hydroxyethyl)carbamate
Basic information
- CAS
1065075-80-0- Standard SMILES
C=CCN(CCO)C(=O)OCc1ccccc1- InChIKey
CAJJBQHUJLQBEM-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- Benzyl allyl(2-hydroxyethyl)carbamate
- IUPAC
- benzyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamate
- English name
- benzyl allyl(2-hydroxyethyl)carbaMate
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
BENZYL ALLYL(2-HYDROXYETHYL)CARBAMATE1065075-80-0Benzylallyl(2-hydroxyethyl)carbamateMFCD11100936benzyl N-(2-hydroxyethyl)-N-prop-2-enylcarbamateAR3338DTXSID70672854AKOS027253446AS-45586benzyl N-allyl-N-(2-hydroxyethyl)carbamateCS-0170870Benzyl (2-hydroxyethyl)prop-2-en-1-ylcarbamate
Show more names
Carbamic acid, N-(2-hydroxyethyl)-N-2-propen-1-yl-, phenylmethyl ester
EN300-7338210Benzyl (2-hydroxyethyl)(prop-2-en-1-yl)carbamateF306489BENZYL N-(2-HYDROXYETHYL)-N-(PROP-2-EN-1-YL)CARBAMATE
Database identifiers
- CAS
1065075-80-0- PubChem CID
- 45926133
- DTXSID
DTXSID70672854
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 369.3 · 369.3±41.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 14.62 · 14.62±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…