UCSF

ZINC15780493

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 11 Yes

Popular Name: 2-Amino-4-methoxybenzonitrile 2-Amino-4-methoxybenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 38487-85-3 , [38487-85-3]

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) 1.16 2.06 -5.64 2 3 0 59 148.165 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 91 - 93 Enamine Building Blocks
MP 91...93 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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