UCSF

ZINC00052622

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: N-Phenyl-m-phenylenediamine N-Phenyl-m-phenylenediamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5840-03-9 , 6590-45-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 4.68 -4.04 3 2 0 38 184.242 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 147 - 149 Enamine Building Blocks
MP 147...149 Enamine Building Blocks
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
BP 190°190°/2 Torr. Matrix Scientific
MP 76-77° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5763596 IBM Patent Data

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