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143991-66-6 | 1,3-Benzenediamine, 5-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CAS No: 143991-66-6 Catalog No: AG001IPZ MDL No:
Product Description
Catalog Number:
AG001IPZ
Chemical Name:
1,3-Benzenediamine, 5-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-
CAS Number:
143991-66-6
Molecular Formula:
C12H16N4
Molecular Weight:
216.2822
IUPAC Name:
5-[2-(2-methylimidazol-1-yl)ethyl]benzene-1,3-diamine
InChI:
InChI=1S/C12H16N4/c1-9-15-3-5-16(9)4-2-10-6-11(13)8-12(14)7-10/h3,5-8H,2,4,13-14H2,1H3
InChI Key:
GVGJBUWIZNDTRA-UHFFFAOYSA-N
SMILES:
Nc1cc(CCn2ccnc2C)cc(c1)N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.288g/mol
Monoisotopic Mass:
216.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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