UCSF

ZINC01666736

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: Diethyl adipate Diethyl adipate

Find On: PubMed — Wikipedia — Google

CAS Number: 141-28-6

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) 1.72 7.14 -7.78 0 4 0 53 202.25 9 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 18 Acros Organics
MP 18 - -16 Enamine Building Blocks
MP 18 - -18 Enamine Building Blocks
MP 19 - -18 Enamine Building Blocks
MP 20 - -18 Enamine Building Blocks
MP 20...-18 Enamine Building Blocks
Melting_Point 20? Alfa-Aesar
Melting_Point 20° Alfa-Aesar
BP [°C] 132 (p=15 torr) Acros Organics
Boiling_Point 250-252? Alfa-Aesar
Boiling_Point 250-252° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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