UCSF

ZINC02034850

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 No

Popular Name: 1-Methylbutyl carbamate; 2-Pentanol, carbamate; AI3-51975; BRN 1751719; Carbamic acid, 1-methylbutyl ester; Hedonal; Hedonal (drug); Hedonal (pharmaceutical); LS-50075; Methylpropylcarbinol carbamate; NSC 27158 1-Methylbutyl carbamate; 2-Penta…

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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) 1.37 0.42 -6.13 2 3 0 52 131.175 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0251114A2 IBM Patent Data
PUBCHEM_PATENT_ID EP0696307B1; WO1994025537A1 IBM Patent Data

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