HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 13376Generated: October 23, 2026
N-Butylformamide
N-Butylformamide · Butylformamide · N-Butyl-formamide · N-n-Butylformamide · n-n-butyl-formamid · N-butylmethanamide · Formamide,N-butyl- · Formamide, N-n-butyl-
https://huagongshe.com/en/chemical/13376
Identifiers & Physical Properties
| CAS No. | 871-71-6 |
|---|
| Molecular formula | C5H11NO |
|---|
| Average molar mass | 101.15 g/mol |
|---|
| Monoisotopic mass | 101.08406397 g/mol |
|---|
| SMILES | CCCCNC=O |
|---|
| InChIKey | QQGNLKJAIVSNCO-UHFFFAOYSA-N |
|---|
| PubChem CID | 13376 |
|---|
| ChEMBL | CHEMBL45466 |
|---|
| ChEBI | CHEBI:84287 |
|---|
| DTXSID | DTXSID10236131 |
|---|
Chemical & Physical Properties
| XLogP | 0.8 |
|---|
| Topological polar surface area | 29.1 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 1 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 7 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 45.3 |
|---|
| Solvents | Solvents -> Amides (<C10) |
|---|
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
|---|
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
|---|
| Boiling point | 105°/5mm |
|---|
| Density | 0.912 |
|---|
| Flash point | 113° |
|---|
| EWG's Food Scores | 1 |
|---|
| FDA UNII | S17P62W6IH |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
|---|
| RTECS number | LQ1225000 |
|---|
Safety & Regulations
| Hazards summary | Causes flaccid paralysis without anesthesia and somnolence in intraperitoneal lethal-dose studies of rats and mice (LD50 = 320 mg/kg)[RTECS] May cause irritation[Sigma-Aldrich MSDS] See N-Methylformamide. |
|---|
| Adverse effects | Neurotoxin - Acute solvent syndrome |
|---|
| RTECS number | LQ1225000 |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| GHS hazard statements | H302-H315-H319-H335 |
|---|
| GHS precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
|---|