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Home > Imidazoles > 772311-98-5
772311-98-5 | 4-((2-Methyl-1H-imidazol-1-yl);methyl);aniline
CAS No: 772311-98-5 Catalog No: AG008NJU MDL No:MFCD06797794
Product Description
Catalog Number:
AG008NJU
Chemical Name:
4-((2-Methyl-1H-imidazol-1-yl);methyl);aniline
CAS Number:
772311-98-5
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
MDL Number:
MFCD06797794
IUPAC Name:
4-[(2-methylimidazol-1-yl)methyl]aniline
InChI:
InChI=1S/C11H13N3/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8,12H2,1H3
InChI Key:
KWSBIEFIWQOXTF-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Cn1ccnc1C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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