UCSF

ZINC00107439

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 Yes

Popular Name: 3,5-dimethyladamantane-1-carboxylic acid 3,5-dimethyladamantane-1-carboxy…

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CAS Numbers: 14670-94-1 , [14670-94-1]

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) 2.62 1.34 -53.21 0 2 -1 40 207.293 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 107-109? Alfa-Aesar
Melting_Point 107-109° Alfa-Aesar
BP 324° Matrix Scientific
Mp [°C] 89 - 90 Acros Organics
MP 89-90° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 97 - 105 Enamine Building Blocks
MP 97...105 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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