UCSF

ZINC00115752

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 No

Popular Name: benzohydrazide benzohydrazide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38941-47-8 , 497-18-7 , 54-85-3 , 613-94-5 , [54-85-3] , [613-94-5]

Download: MOL2 SDF SMILES Flexibase

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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) 0.32 1.36 -9.83 3 3 0 55 136.154 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 113 - 117 Acros Organics
Melting_Point 113-117? Alfa-Aesar
Melting_Point 113-117° Alfa-Aesar
MP 113...117 Enamine Building Blocks
MP 114 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP0302423A2; EP0782632A1; EP1011729A2; US3931318; US3981868; US4014932; US4054604; US4999356; US5010068; US5134236; US5352551; US5382485; US5500314; US6001555; US6048877; WO1996009406A1; WO1997044064A2; WO1998036749A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links WO2005110992 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.