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13682-33-2

13682-33-2 | Benzenamine, 4-(1H-imidazol-2-yl)-

CAS No: 13682-33-2 Catalog No: AG0012F1 MDL No:MFCD08668826

Product Description

Catalog Number:
AG0012F1
Chemical Name:
Benzenamine, 4-(1H-imidazol-2-yl)-
CAS Number:
13682-33-2
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD08668826
IUPAC Name:
4-(1H-imidazol-2-yl)aniline
InChI:
InChI=1S/C9H9N3/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6H,10H2,(H,11,12)
InChI Key:
GSBDHQDPAGRRJE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ncc[nH]1

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Literature

Title Journal
Synthesis and Antiulcer Activity Studies of 2-(1'-Iminothioimido Substituted)-1'-Substituted Phenylbenzoic acids. Indian journal of pharmaceutical sciences 20080101

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