L-Valine, N-(2-cyanoethyl)-N-(methoxycarbonyl)-

Base Information

• Chemical Name: L-Valine, N-(2-cyanoethyl)-N-(methoxycarbonyl)-
• CAS No.: 192726-03-7
• Molecular Formula: C10H16N2O4
• Molecular Weight: 228.248
• DSSTox Substance ID: DTXSID00468545
• Nikkaji Number: J1.644.590H
• Wikidata: Q82295791
• Mol file: 192726-03-7.mol

Synonyms:L-Valine, N-(2-cyanoethyl)-N-(methoxycarbonyl)-;192726-03-7;N-(2-cyanoethyl)-N-(methoxycarbonyl)-L-valine;SCHEMBL5809131;DTXSID00468545;IKTZLEITYTUITE-QMMMGPOBSA-N

Chemical Property of L-Valine, N-(2-cyanoethyl)-N-(methoxycarbonyl)-

Chemical Property:

• PSA: 90.63000
• LogP: 1.07768
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 228.11100700
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)N(CCC#N)C(=O)OC
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)N(CCC#N)C(=O)OC