UCSF

ZINC02534748

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: N-Benzyl-2-methylpropan-2-amine N-Benzyl-2-methylpropan-2-amine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3378-72-1 , [779-89-5]

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) 2.68 0.71 -33.53 2 1 1 17 164.272 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 30? to -25? Alfa-Aesar
Melting_Point 30° to -25° Alfa-Aesar
Boiling_Point 218-220? Alfa-Aesar
Boiling_Point 218-220° Alfa-Aesar
BP 252 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0996443A1; US6121260; WO1999001128A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0996443A1; WO1999001128A1 IBM Patent Data

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