UCSF

ZINC10435770

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 12 Yes

Popular Name: Isopropyl-(4-methyl-benzyl)-amine Isopropyl-(4-methyl-benzyl)-amine

Find On: PubMed — Wikipedia — Google

CAS Number: 70894-75-6

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) 2.62 0.62 -35.07 2 1 1 17 164.272 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0645390A1; US5618814 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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