UCSF

ZINC03346202

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 12 Yes

Popular Name: N-benzyl-N-(sec-butyl)amine hydrochloride N-benzyl-N-(sec-butyl)amine hydr…

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CAS Numbers: 46120-25-6 , 879652-85-4

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) 2.71 0.62 -34.55 2 1 1 16 164.272 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US5273975; US5436240; WO1990015058A1 IBM Patent Data

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