3,3'-Dimethylbenzidine dihydrofluoride
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CAS Number 41766-75-0
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Catalog Number io-2244
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Classification Fluoride Salts
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Molecular Weight 252.3000
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SMILES CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F
Size | QTY | Notes | |
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1 | o-Tolidine dihydrofluoride |
2 | DTXSID40961969 |
3 | (1,1'-Biphenyl)-4,4'-diamine, 3,3'-dimethyl-, dihydrofluoride |
Molecular Formula | C14H18F2N2 |
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Canonical SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F |
Isomeric SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F |
Molecular Weight | 252.3000 |
InChIKey | AMCOFRYQNUYHDX-UHFFFAOYSA-N |
InChI | InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H |
XLogP | 0.0000 |
ExactMass | 252.1438 |
MonoisotopicMass | 252.1438 |
TPSA | 52.0000 |
Complexity | 205.0000 |
Charge | 0.0000 |
HBondDonorCount | 4 |
HBondAcceptorCount | 4 |
RotatableBondCount | 1 |
HeavyAtomCount | 18 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 3 |
PatentCount | 0 |
PatentFamilyCount | 0 |
LiteratureCount | 0 |