Carbamic acid, furfuryl-, isopropyl ester
Basic information
- CAS
5327-28-6- Standard SMILES
CC(C)OC(=O)NCc1ccco1- InChIKey
JZCBXDSLFBPBAH-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Names & identifiers
- Preferred name
- Carbamic acid, furfuryl-, isopropyl ester
- IUPAC
- propan-2-yl N-(furan-2-ylmethyl)carbamate
- English name
- Furfurylcarbamic acid isopropyl ester
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
5327-28-6CARBAMIC ACID, FURFURYL-, ISOPROPYL ESTERNSC 33056CL7P9Z0HOBRN 0151750NSC-3305UNII-6CL7P9Z0HODTXSID602013944-18-00-07083 (Beilstein Handbook Reference)RefChem:123386DTXCID60123885Isopropyl furfurylcarbamate
Show more names
Furfurylcarbamic acid isopropyl esterCarbamic acid, furfuryl-, isopropyl ester (6CI,7CI,8CI)
WLN: T5OJ BVMVY1&1NSC3305Propan-2-yl [(furan-2-yl)methyl]carbamate
Database identifiers
- CAS
5327-28-6- PubChem CID
- 21401
- DTXSID
DTXSID60201394- UNII
- 6CL7P9Z0HO
- Nikkaji
- J42.896E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 286.3 · 286.3±23.0 °C(Predicted)
- Density
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- pka
- 12.04 · 12.04±0.46(Predicted)
- FDA UNII
- 6 CL7P9Z0HO · 6CL7P9Z0HO
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…