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1216236-39-3 | 1H-Imidazole-2-methanamine, 1-methyl-α-(4-methylphenyl)-, hydrochloride (1:2)
CAS No: 1216236-39-3 Catalog No: AG0015EW MDL No:MFCD11895878
Product Description
Catalog Number:
AG0015EW
Chemical Name:
1H-Imidazole-2-methanamine, 1-methyl-α-(4-methylphenyl)-, hydrochloride (1:2)
CAS Number:
1216236-39-3
Molecular Formula:
C12H17Cl2N3
Molecular Weight:
274.1895
MDL Number:
MFCD11895878
IUPAC Name:
(1-methylimidazol-2-yl)-(4-methylphenyl)methanamine;dihydrochloride
InChI:
InChI=1S/C12H15N3.2ClH/c1-9-3-5-10(6-4-9)11(13)12-14-7-8-15(12)2;;/h3-8,11H,13H2,1-2H3;2*1H
InChI Key:
QMQDNVHYOSPAGV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(c1nccn1C)N.Cl.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.189g/mol
Monoisotopic Mass:
273.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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