UCSF

ZINC02559114

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 8-methyl-1,2,3,4-tetrahydroquinoline 8-methyl-1,2,3,4-tetrahydroquino…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52601-70-4 , 611-32-5 , 878794-00-4 , [52601-70-4]

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) 1.77 5.16 -3.68 1 1 0 12 147.221 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 255 - 257 (p=717 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0731801A1; WO1996000224A1; WO1996002505A1 IBM Patent Data
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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