UCSF

ZINC00138981

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-ADAMANTANECARBOXAMIDE 1-ADAMANTANECARBOXAMIDE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5511-18-2 , [5511-18-2]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.98 3.19 -7.05 2 2 0 43 179.263 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 186-188? Alfa-Aesar
Melting_Point 186-188° Alfa-Aesar
MP 188 TCI
mp 189 MolMall (formerly Molecular Diversity Preservation International)
PUBCHEM_PATENT_ID EP0949900A2; EP0957940A1; EP0963193A1; US5756480; US5777134; US5932559; US5998464; WO1997015305A1; WO1997015564A1; WO1998056337A1; WO2000031038A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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