1,4-Phenylenediamine dihydrochloride
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CAS Number 624-18-0
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Catalog Number io-2839
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Classification Salts
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Molecular Weight 181.0600
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SMILES C1=CC(=CC=C1N)N.Cl.Cl
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1 | p-Phenylenediamine dihydrochloride |
2 | benzene-1,4-diamine dihydrochloride |
3 | 1,4-Phenylenediamine dihydrochloride |
4 | 1,4-DIAMINOBENZENE DIHYDROCHLORIDE |
5 | Fourrine DS |
Molecular Formula | C6H10Cl2N2 |
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Canonical SMILES | C1=CC(=CC=C1N)N.Cl.Cl |
Isomeric SMILES | C1=CC(=CC=C1N)N.Cl.Cl |
Molecular Weight | 181.0600 |
InChIKey | IYXMNTLBLQNMLM-UHFFFAOYSA-N |
InChI | InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H |
XLogP | 0.0000 |
ExactMass | 180.0221 |
MonoisotopicMass | 180.0221 |
TPSA | 52.0000 |
Complexity | 54.0000 |
Charge | 0.0000 |
HBondDonorCount | 4 |
HBondAcceptorCount | 2 |
RotatableBondCount | 0 |
HeavyAtomCount | 10 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 3 |
PatentCount | 1299 |
PatentFamilyCount | 600 |
LiteratureCount | 1044 |