UCSF

ZINC33856431

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 19 Yes

Popular Name: (1-Dibenzylamino)-2-propanol hydrochloride; 2-Propanol, (1-dibenzylamino)-, hydrochloride; LS-122027; N-(2-Hydroxypropyl)dibenzylamine hydrochloride (1-Dibenzylamino)-2-propanol hyd…

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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) 2.87 8.49 -31.84 2 2 1 25 256.369 6 ↓
Hi High (pH 8-9.5) 2.87 6.02 -4.04 1 2 0 23 255.361 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0288764A1; US4990669 IBM Patent Data

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