UCSF

ZINC03861155

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 1-acetyladamantane 1-acetyladamantane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1660-04-4 , 18220-83-2 , 4/4/1660 , [1660-04-4]

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) 2.80 1.21 -4.67 0 1 0 17 178.275 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 53 - 55 Acros Organics
Melting_Point 53-55? Alfa-Aesar
MP 53...55 Enamine Building Blocks
MP 54 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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