3-Methylbutanamide
Basic information
- CAS
541-46-8- Standard SMILES
CC(C)CC(N)=O- InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Overview
3-methyl-Butanamide is a carboximidic acid.
Names & identifiers
- Preferred name
- 3-Methylbutanamide
- IUPAC
- 3-methylbutanamide
- English name
- Isovaleramide
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
ISOVALERAMIDE3-Methylbutanamide541-46-8Butanamide, 3-methyl-3-MethylbutyramideNFS1776NSC-4025559CP4KB634MNFS-1776DTXSID3060249RefChem:150100DTXCID7041596
Show more names
IsovaleramidBW 759 sodiumIsovaleramide,98%ISOVALERAMIDE 98%isopropylacetamide
208-781-1IsopentanamideIsovaleric amideIsovaleric acid amideNPS 1776Isovaleramide [USAN]MFCD00014807.beta.-Methylbutyramide
Database identifiers
- CAS
541-46-8- PubChem CID
- 10930
- DTXSID
DTXSID3060249- ChEMBL
CHEMBL171066- ChEBI
CHEBI:229314- UNII
- 9CP4KB634M
- EC Number
- 208-781-1
- Nikkaji
- J6.394K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP0.19
Boiling Point226 °C @760 [mm Hg]
Melting Point137 °C
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 232 °C · 232°C
- Density
- 0.965 · 0.965
- refractive index
- 1.4367 · 1.4367 (estimate)
- Flash point
- 232 °C · 232°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 135 · DMSO:135.0(Max Conc. mg/mL);1334.66(Max Conc. mM)Ethanol:20.0(Max Conc. mg/mL);197.73(Max Conc. mM)Water:20.0(Max Conc. mg/mL);197.73(Max Conc. mM)
- form
- White Crystalline flakes
- pka
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
Safety data
- tsca
- TSCA listed
- rtecs
- EJ3650000
- hs_code
- 2924190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanamide, 3-methyl-: ACTIVE
Applications
UsesRT transferase inhibitor, antiviral
Upstream & downstream products
Downstream products
Related reactions
6 records
Compound notes
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