N-Butylformamide
Basic information
- CAS
871-71-6- Standard SMILES
CCCCNC=O- InChIKey
QQGNLKJAIVSNCO-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Overview
N-butylformamide is a member of the class of formamides that is formamide substituted by a butyl group at the N atom. It has a role as a human metabolite. It is functionally related to a formamide.
Names & identifiers
- Preferred name
- N-Butylformamide
- IUPAC
- N-butylformamide
- English name
- Butylformamide
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
N-ButylformamideButylformamideN-n-ButylformamideFormamide, N-butyl-FORMAMIDE, N-n-BUTYL-NSC 5939UNII-S17P62W6IHBRN 1700042S17P62W6IHAI3-04127NSC-5939CHEBI:84287
Show more names
N-Butyl-formamiden-n-butyl-formamidN-butylmethanamideFormamide,N-butyl-
DTXSID102361314-04-00-00564 (Beilstein Handbook Reference)NnButylformamideFormamide, NbutylFormamide, NnbutylRefChem:163057DTXCID10158622QQGNLKJAIVSNCO-UHFFFAOYSA-N
Database identifiers
- CAS
871-71-6- PubChem CID
- 13376
- DTXSID
DTXSID10236131- ChEMBL
CHEMBL45466- ChEBI
CHEBI:84287- UNII
- S17P62W6IH
- Nikkaji
- J49.652I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.3
Experimental & physicochemical properties
SolventsSolvents -> Amides (<C10)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 105 °/5mm · 105°/5mm
- Density
- 0.912 · 0.912
- Flash point
- 113 ° · 113°
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 17 P62W6IH · S17P62W6IH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- RTECS
- 1225000 · LQ1225000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses 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.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- rtecs
- LQ1225000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: A member of the class of formamides that is formamide substituted by a butyl group at the N atom.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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