UCSF

ZINC03852740

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 5,6,7,8-Tetrahydroquinoline 5,6,7,8-Tetrahydroquinoline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10500-57-9 , 91-22-5 , [10500-57-9]

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) 2.11 0.17 -4.27 0 1 0 12 133.194 0 ↓
Lo Low (pH 4.5-6) 2.11 0.23 -27.71 1 1 1 14 134.202 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 222 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0314852B1; EP0771196A1; EP0771196B1; EP0774454A1; EP0774455A1; EP0774461A1; EP0878463A1; EP0878463B1; EP1046712A2; US4921955; US5688826; US5717109; US5912248; US5916920; US5958960; US6160009; WO1996007405A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0321296A1; EP0321296B1; EP0376724A2; EP0544958A1; US5047540; US5138067; US5610310; US5700817 IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US4921955; WO1999051579A1; WO2000056729A1 IBM Patent Data

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