UCSF

ZINC00086677

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: (1r,4r)-methyl 4-(aminomethyl)cyclohexanecarboxylate (1r,4r)-methyl 4-(aminomethyl)cy…

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CAS Numbers: , 23199-14-6 , 29275-88-5 , 50738-63-1 , 54640-02-7 , [50738-63-1] , [54640-02-7]

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) 0.66 3.49 -48.45 3 3 1 54 172.248 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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