1,4-Phenylenediamine dihydrochloride
  • CAS Number 624-18-0
  • Catalog Number io-2839
  • Classification Salts
  • Molecular Weight 181.0600
  • 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
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