UCSF

ZINC01654079

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: (3-phenoxypropyl)amine (3-phenoxypropyl)amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7617-76-7 , 83708-39-8 , 83708-39-8; 7617-76-7

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) 1.07 2.9 -45.14 3 2 1 37 152.217 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 179 - 181 Enamine Building Blocks
MP 179...181 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0937030A1; US5051445; WO1997013744A1 IBM Patent Data

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