UCSF

ZINC12336351

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 14 Yes

Popular Name: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanamine [1-(4-chlorophenyl)-1H-1,2,3-tri…

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CAS Numbers: 886361-79-1 , [886361-79-1]

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) 1.23 2.87 -50.58 3 4 1 58 209.66 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 99 - 101 KeyOrganics
MP 99-101° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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