UCSF

ZINC04205043

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: N-(4-methylbenzyl)-N-propylamine N-(4-methylbenzyl)-N-propylamine

Find On: PubMed — Wikipedia — Google

CAS Number: 39190-96-0

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) 2.82 0.43 -37.44 2 1 1 16 164.272 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 238 - 245 Enamine Building Blocks
MP 238...245 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0645390A1; US5618814 IBM Patent Data

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