(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid

Base Information

• Chemical Name: (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid
• CAS No.: 435342-05-5
• Molecular Formula: C12H13N3O2
• Molecular Weight: 231.2505
• DSSTox Substance ID: DTXSID80963028
• ChEMBL ID: CHEMBL1617318
• Mol file: 435342-05-5.mol

Synonyms:435342-05-5;(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid;2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetic acid;2-(3-Allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetic acid;(3-allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)acetic acid;[2-imino-3-(prop-2-en-1-yl)-2,3-dihydro-1H-benzimidazol-1-yl]acetic acid;Oprea1_367705;Oprea1_532355;CHEMBL1617318;DTXSID80963028;HMS1609K20;STK079499;WAY-307104-A;AKOS000301463;EU-0003307;(3-allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid, AldrichCPR;2-(3-Allyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)aceticacid;1H-Benzimidazole-1-aceticacid,2,3-dihydro-2-imino-3-(2-propen-1-yl)-,hydrobromide(1:1);2-[2-IMINO-3-(PROP-2-EN-1-YL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-1-YL]ACETIC ACID

Chemical Property of (3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 5.39E-07mmHg at 25°C
• Refractive Index: 1.626
• Boiling Point: 396.4 °C at 760 mmHg
• Flash Point: 193.5 °C
• PSA: 71.01000
• Density: 1.27 g/cm³
• LogP: 1.29260
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 231.100776666
• Heavy Atom Count: 17
• Complexity: 343

Purity/Quality:

99% ^*data from raw suppliers

(3-Allyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-acetic acid hydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C=CCN1C2=CC=CC=C2N(C1=N)CC(=O)O