UCSF

ZINC00801298

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

Popular Name: 4-Azepan-1-ylmethyl-phenylamine 4-Azepan-1-ylmethyl-phenylamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1193387-16-4 , 251552-19-9

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) 2.23 6.68 -32.42 3 2 1 30 205.325 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 221 - 223 Enamine Building Blocks
MP 221...223 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

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