N-Methyl-o-phenylenediamine dihydrochloride
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CAS Number 25148-68-9
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Catalog Number io-33509
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Classification Salts
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Molecular Weight 195.0900
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SMILES CNC1=CC=CC=C1N.Cl.Cl
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1 | N-Methyl-1,2-benzenediamine dihydrochloride |
2 | N-Methyl-o-phenylenediamine dihydrochloride |
3 | N1-Methylbenzene-1,2-diamine dihydrochloride |
4 | 1,2-Benzenediamine, N-methyl-, dihydrochloride |
5 | 2-(Methylamino)aniline dihydrochloride |
Molecular Formula | C7H12Cl2N2 |
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Canonical SMILES | CNC1=CC=CC=C1N.Cl.Cl |
Isomeric SMILES | CNC1=CC=CC=C1N.Cl.Cl |
Molecular Weight | 195.0900 |
InChIKey | DKEONVNYXODZRQ-UHFFFAOYSA-N |
InChI | InChI=1S/C7H10N2.2ClH/c1-9-7-5-3-2-4-6(7)8;;/h2-5,9H,8H2,1H3;2*1H |
XLogP | 0.0000 |
ExactMass | 194.0378 |
MonoisotopicMass | 194.0378 |
TPSA | 38.0000 |
Complexity | 83.0000 |
Charge | 0.0000 |
HBondDonorCount | 4 |
HBondAcceptorCount | 2 |
RotatableBondCount | 1 |
HeavyAtomCount | 11 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 3 |
PatentCount | 81 |
PatentFamilyCount | 36 |
LiteratureCount | 26 |