UCSF

ZINC13942039

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 13 Yes

Popular Name: 2-methyl-N-(2-methylbenzyl)-1-propanamine hydrochloride 2-methyl-N-(2-methylbenzyl)-1-pr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1049773-92-3 , 893589-84-9

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) 3.02 7.34 -36.87 2 1 1 17 178.299 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0373645A1; EP0403627A1 IBM Patent Data

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