UCSF

ZINC01747053

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 Yes

Popular Name: 1,3-Propanediol, 2,2-diethyl-, dicarbamate; 2,2-Diethyl-1,3-propanediol dicarbamate; BRN 1786540; Carbamic acid, 2,2-diethyltrimethylene ester; LS-120340; Metuchen; NSC 16569; NSC 172125 1,3-Propanediol, 2,2-diethyl-, d…

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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) 1.11 -2.8 -10.71 4 6 0 105 218.253 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0262768A2; EP0262768B1; US4097279; US5021984; US5645279; US5661015; US5962444; US6015805; US6093707; WO1994018307A1; WO1995032623A1; WO1997048740A1; WO1999003486A1; WO1999062929A1; WO2000055609A2 IBM Patent Data

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