UCSF

ZINC02508502

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: N-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}benzenecarboxamide N-{2-[(2-hydroxyethyl)amino]-2-o…

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CAS Numbers: 72085-01-9 , [72085-01-9]

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) 0.11 -1.23 -11.17 3 5 0 78 222.244 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 126 - 128 KeyOrganics
MP 126-128° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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