UCSF

ZINC08326741

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2006 13 Yes

Popular Name: N-(4-Methylbenzyl)-2-butanamine hydrochloride N-(4-Methylbenzyl)-2-butanamine …

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CAS Numbers: 1049678-12-7 , 869942-01-8 , [1049678-12-7]

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) 3.15 0.95 -34.63 2 1 1 16 178.299 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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