UCSF

ZINC19779350

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 12 Yes

Popular Name: 4-(1H-Tetrazol-5-yl)aniline 4-(1H-Tetrazol-5-yl)aniline

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CAS Number: 46047-18-1

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) 0.44 0.85 -13.04 3 5 0 80 161.168 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 265° Oakwood Chemical
MP 267° (dec) Matrix Scientific
MP 83 - 85 Enamine Building Blocks
MP 83...85 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 265? dec. Alfa-Aesar
Melting_Point ca 265° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

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