UCSF

ZINC00265747

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Substance Information

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

Popular Name: Benzidine Benzidine

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CAS Numbers: 116030-76-3 , 531-85-1 , 531-86-2 , 92-87-5 , [21136-70-9] , [3365-94-9] , [531-85-1] , [92-87-5]

Other Names:

((1,1'-Biphenyl)-4,4'-diyl)diammonium sulphate; (1,1'-Biphenyl)-4,4'-diamine, sulfate (1:1); Benzidine sulfate; Benzidine sulphate; Benzidine, sulfate (1:1); EINECS 208-520-1; LS-32424; NSC 148333

(1,1'-Biphenyl)-4,4'-diamine, dihydrochloride; BENZIDINE DIHYDROCHLORIDE (SEE ALSO BENZIDINE 92-87-5); Benzidine dihydrochloride; Benzidine hydrochloride; Benzidine.2HCl; CCRIS 1412; Dihidrocloruro de benzidina [Spanish]; EINECS 208-519-6; LS-191; NSC 350

(1,1'-Biphenyl)-4,4'-diamine; 1,1'-Biphenyl-4,4'-Diamine; 4,4'-Bianiline; 4,4'-Biphenyldiamine; 4,4'-Biphenylenediamine; 4,4'-Diaminobiphenyl; 4,4'-Diaminodiphenyl; 4,4'-Diphenylenediamine; 4,4'-diamino-1,1'-biphenyl; AI3-00140; BENZIDINE (SEE ALSO BENZID

1,1'-Biphenyl-4,4'-diamine

3,3'-Dimethyl-4,4'-diaminobiphenyl;3,3'-Dimethylbenzidine;4'-Amino[1,1'-biphenyl]-4-ylamine (ACD/Name 4.0);4, 4'-Biphenylenediamine;4,4'-Bianiline;4,4'-Biphenyldiamine;4,4'-Biphenylenediamine;4,4'-Diamino-1,1'-biphenyl;4,4'-Diaminobiphenyl;4,4'-Diaminodip

4,4'-biphenyldiamine

4,4'-biphenyldiamine dihydrochloride

4,4'-biphenyldiamine sulfate

4-(4-aminophenyl)aniline

92-87-5; Benzidine; C16444

Benzidine compound with o-cresol (1:1)

Benzidine dihydrochloride

Benzidine sulfate

Benzidine sulphate

Benzidine;p,p`-Diaminodiphenyl

Benzidinesulfate

biphenyl-4,4'-diamine

BIPHENYLDIAMIN

LS-190219

LS-76947

MFCD00039765

MFCD00040389

MFCD00043421

[1,1'-biphenyl]-4,4'-diamine

[1,1'-biphenyl]-4,4'-diamine, dihydrochloride

[1,1'-biphenyl]-4,4'-diamine, sulfate (1:1)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.89 3.66 -4.96 4 2 0 52 184.242 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 127-128° Matrix Scientific
BP 400° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Toxic/Marine Pollutant/Light Sensitive Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 1420 0.58 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 1420 0.58 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )