UCSF

ZINC00154785

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 2-Amino-4,5-dimethoxybenzonitrile 2-Amino-4,5-dimethoxybenzonitrile

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CAS Number: 26961-27-3

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) 0.75 1.97 -7.45 2 4 0 68 178.191 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 97-101? Alfa-Aesar
MP 97-101° Matrix Scientific
MP 98-99° Matrix Scientific
Purity 99% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific
Warnings Toxic Matrix Scientific

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