Basic information
- Standard SMILES
CCCCNC(=O)OCC- InChIKey
BQBKYSPXQYHTIP-UHFFFAOYSA-N- Molecular formula
- C7H15NO2
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.11027872
Names & identifiers
- Preferred name
- Carbamic acid, N-butyl-, ethyl ester
- IUPAC
- ethyl N-butylcarbamate
- English name
- ethyl butylcarbamate
- Molecular formula
- C7H15NO2
- Molecular weight
- 145.2
Names & synonyms
591-62-8Carbamic acid, N-butyl-, ethyl esterRefChem:1080964Ethyl butylcarbamateN-ButylurethaneButylurethaneEthyl N-butylcarbamateButyl urethane1-Butylurethane1-ButylurethanButylcarbamic acid, ethyl esterEthyl-N,N-butylcarbamate
Show more names
N-N-BUTYLURETHANEN-Butylcarbamic acid ethylButylcarbamic acid ethyl esterCARBAMICACID,BUTYL-,ETHYLESTERN-butylcarbamic acid ethyl ester
CARBAMIC ACID, BUTYL-, ETHYL ESTERN-Butyl-O-ethylurethaneNSC 454AI3-16946NAA2TAQ529NSC-454BUREINECS 209-724-3
Database identifiers
- CAS
591-62-8- PubChem CID
- 11577
- DTXSID
DTXSID0058435- UNII
- NAA2TAQ529
- EC Number
- 209-724-3
- Nikkaji
- J1.645D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 93.6
Physicochemical properties
- Melting point
- -22 °C · -22°C
- Boiling point
- 228.04 °C · 228.04°C (estimate)
- Density
- 0.9434 · 0.9434
- refractive index
- 1.4278 · 1.4278
- pka
- 13.02 · 13.02±0.46(Predicted)
- FDA UNII
- 2 TAQ529 · NAA2TAQ529
Chemistry & industry
Suppliers3 total
盐城通铭生物科技有限公司15195160625 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
Related reactions
1 records
Linked notes
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