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131076-14-7 | 1,2-Benzenediamine, 4,5-dimethoxy-, hydrochloride (1:2)
CAS No: 131076-14-7 Catalog No: AG000VI0 MDL No:MFCD00190674
Product Description
Catalog Number:
AG000VI0
Chemical Name:
1,2-Benzenediamine, 4,5-dimethoxy-, hydrochloride (1:2)
CAS Number:
131076-14-7
Molecular Formula:
C8H14Cl2N2O2
Molecular Weight:
241.1150
MDL Number:
MFCD00190674
IUPAC Name:
4,5-dimethoxybenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C8H12N2O2.2ClH/c1-11-7-3-5(9)6(10)4-8(7)12-2;;/h3-4H,9-10H2,1-2H3;2*1H
InChI Key:
ORAAOAMEUMZGGU-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1OC)N.Cl.Cl
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
241.112g/mol
Monoisotopic Mass:
240.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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