N-Butylacetamide
Basic information
- CAS
1119-49-9- Standard SMILES
CCCCNC(C)=O- InChIKey
GYLDXXLJMRTVSS-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- N-Butylacetamide
- IUPAC
- N-butylacetamide
- English name
- N-Butylacetamide
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
N-Butylacetamide1119-49-9ACETAMIDE, N-BUTYL-EINECS 214-280-945F5O38HJSNSC 27204NSC-27204AI3-02183DTXSID2061511RefChem:829424DTXCID1033248214-280-9
Show more names
n-butyl-acetamidACETYLBUTYLAMINEACETYL N-BUTYLAMINEN-Butylacetamide,99%N-(1-butyl)acetamide
InChI=1/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8N-butyl-acetamiden-butylacetamidN-butylethanamiden-n-butylacetamideNSC27204butane, 1-acetamido-UNII-45F5O38HJS
Database identifiers
- CAS
1119-49-9、13434-12-3- PubChem CID
- 61265
- DTXSID
DTXSID2061511- UNII
- 45F5O38HJS
- EC Number
- 214-280-9
- Nikkaji
- J43.278D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 112 · 112-114 °C
- Boiling point
- 117 °C · 117 °C (9 mmHg)
- Density
- 0.9 · 0.9
- refractive index
- 1.439 · 1.439-1.441
- pka
- 16.61 · 16.61±0.46(Predicted)
- form
- solid
- Henry's Law Constant
- 2.7 · 2.7×103 mol/(m3Pa) at 25℃, Gibbs et al. (1991)
- InChI
- 1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
- InChIKey
- GYLDXXLJMRTVSS-UHFFFAOYSA-N
- SMILES
- CCCCNC(C)=O
- FDA UNII
- 45 F5O38HJS · 45F5O38HJS
- EPA Substance Registry System
- Acetamide, N-butyl- (1119-49-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationAcetamide, N-butyl-: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…