UCSF

ZINC00168978

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 11 No

Popular Name: 1-[(aminooxy)methyl]-3-methoxybenzene hydrochloride 1-[(aminooxy)methyl]-3-methoxybe…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3839-39-2 , [3839-39-2]

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) 1.31 1.86 -5.4 2 3 0 44 153.181 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 127 - 130 KeyOrganics
MP 127-130° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1996013485A1 IBM Patent Data

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