N-(2-methoxybenzyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(2-methoxybenzyl)-3-oxobutanamide
• CAS No.: 331713-77-0
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.25
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20354890
• Wikidata: Q82133369
• ChEMBL ID: CHEMBL4960929
• Mol file: 331713-77-0.mol

Synonyms:N-(2-methoxybenzyl)-3-oxobutanamide;331713-77-0;N-[(2-methoxyphenyl)methyl]-3-oxobutanamide;CBMicro_048271;CHEMBL4960929;DTXSID20354890;MFCD00844470;AKOS000166015;SB79935;BS-37938;BIM-0048199.P001;CS-0362114;AG-670/09241026

Chemical Property of N-(2-methoxybenzyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 2.29E-07mmHg at 25°C
• Boiling Point: 423.1°C at 760 mmHg
• Flash Point: 209.7°C
• PSA: 58.89000
• Density: 1.112g/cm³
• LogP: 2.13080
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

N-(2-methoxybenzyl)-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1OC