CC1=C(C=C(C=C1)N)NC.Cl.Cl
Name: 3-N,4-dimethylbenzene-1,3-diamine;dihydrochloride
SMILES: CC1=C(C=C(C=C1)N)NC.Cl.Cl

Molecular Processing

Molecular formula
C8H14Cl2N2
Molecular weight
209.12
Exact mass
208.0534
XLogP
2.46
TPSA
38.05
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
3
Fraction Csp3
0.25
Molar refractivity
59.63

Supplementary Information

InChIKey: JCGQKFNCIOOBMY-UHFFFAOYSA-N
Synonyms
SCHEMBL11453440JCGQKFNCIOOBMY-UHFFFAOYSA-N2-methylamino-4-aminotoluene dihydrochloride
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Involved in 2 reactions→

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