UCSF

ZINC00801747

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 15 Yes

Popular Name: 4-[(4-methylpiperidin-1-yl)methyl]aniline 4-[(4-methylpiperidin-1-yl)methy…

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CAS Numbers: 262368-64-9 , N/A , [262368-64-9]

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) 1.97 6.81 -32.52 3 2 1 30 205.325 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 61 - 63 Enamine Building Blocks
MP 61...63 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5534525; WO1999052869A1; WO1999062882A1; WO2000073297A1 IBM Patent Data

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