UCSF

ZINC00168353

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 1-methyl-1H-indol-2-ol 1-methyl-1H-indol-2-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 61-70-1 , 90563-58-9 , [90563-58-9]

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) 2.13 2.93 -6.15 1 2 0 25 147.177 0 ↓
Hi High (pH 8-9.5) 2.13 3.7 -46.62 0 2 -1 28 146.169 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 84 - 86 Enamine Building Blocks
MP 84...86 Enamine Building Blocks
melting_point 88 - 91 KeyOrganics
MP 88-91° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO1999067221A1 IBM Patent Data

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