UCSF

ZINC03123000

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 Yes

Popular Name: Ethyl 3-amino-4-(ethylamino)benzoate Ethyl 3-amino-4-(ethylamino)benz…

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CAS Numbers: 202131-30-4 , [202131-30-4]

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) 2.13 -0.97 -6.94 3 4 0 64 208.261 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 - 107 Enamine Building Blocks
MP 100...107 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 99 - 101 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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