UCSF

ZINC02564775

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

Popular Name: tert-butyl N-(1-benzyl-2-oxoethyl)carbamate tert-butyl N-(1-benzyl-2-oxoethy…

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CAS Numbers: 103127-53-3 , 199336-83-9 , 72155-45-4 , 77119-85-8 , 98818-36-1 , [ 77119-85-8 ] , [103127-53-3] , [77119-85-8] , [98818-36-1]

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) 4.54 1.05 -11.71 1 4 0 55 249.31 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.800000000000000e+001 - 7.000000000000000e+001 KeyOrganics
melting_point 68 - 70 KeyOrganics
MP 68-70° Matrix Scientific
Mp [°C] 85 - 89 Acros Organics
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Boiling_Point n.d. Squarix
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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