Methyl 3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate

Base Information

• Chemical Name: Methyl 3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
• CAS No.: 694517-54-9
• Molecular Formula: C17H17N3O5
• Molecular Weight: 343.33398
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10387950
• Wikidata: Q82182576
• ChEMBL ID: CHEMBL1537365
• Mol file: 694517-54-9.mol

Synonyms:694517-54-9;Methyl 3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate;methyl 3-[(4-methyl-3-nitrobenzoyl)-pyridin-2-ylamino]propanoate;CBKinase1_005366;CBKinase1_017766;MLS000672201;CHEMBL1537365;DTXSID10387950;HMS2627E07;SMR000293378;SR-01000270645;SR-01000270645-1;BRD-K51621801-001-01-5;methyl N-(4-methyl-3-nitrobenzoyl)-N-2-pyridinyl-beta-alaninate;Methyl3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate;METHYL 3-[1-(4-METHYL-3-NITROPHENYL)-N-(PYRIDIN-2-YL)FORMAMIDO]PROPANOATE

Chemical Property of Methyl 3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate

Chemical Property:

• Vapor Pressure: 1.4E-11mmHg at 25°C
• Boiling Point: 536.4°C at 760 mmHg
• Flash Point: 278.2°C
• PSA: 105.32000
• Density: 1.314g/cm³
• LogP: 3.03130
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 343.11682065
• Heavy Atom Count: 25
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-(4-methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)N(CCC(=O)OC)C2=CC=CC=N2)[N+](=O)[O-]