UCSF

ZINC01494941

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: 3-(Methylsulfonyl)benzylamine 3-(Methylsulfonyl)benzylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 387350-81-4 , 771573-22-9 , 855267-50-4 , [771573-22-9] , [855267-50-4]

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) -0.03 0.07 -53.59 3 3 1 62 186.256 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 248-254° Oakwood Chemical
MP 250° Matrix Scientific
MP 57-59° Matrix Scientific
Purity 89% Fluorochem
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0882715A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.