UCSF

ZINC00319248

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 14 Yes

Popular Name: 4-(3-Methyl-butoxy)-benzylamine 4-(3-Methyl-butoxy)-benzylamine

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CAS Number: 21244-38-2

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) 2.83 -1.3 -45.79 3 2 1 36 194.298 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 152-153°/7 Torr Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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