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25148-68-9 | 1,2-Benzenediamine, N1-methyl-, hydrochloride (1:2)
CAS No: 25148-68-9 Catalog No: AG002QN8 MDL No:MFCD00042021
Product Description
Catalog Number:
AG002QN8
Chemical Name:
1,2-Benzenediamine, N1-methyl-, hydrochloride (1:2)
CAS Number:
25148-68-9
Molecular Formula:
C7H12Cl2N2
Molecular Weight:
195.0896
MDL Number:
MFCD00042021
IUPAC Name:
2-N-methylbenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H
InChI Key:
DKEONVNYXODZRQ-UHFFFAOYSA-N
SMILES:
CNc1ccccc1N.Cl.Cl
EC Number:
246-655-8
UNII:
NML5KQ540I
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
195.087g/mol
Monoisotopic Mass:
194.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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