UCSF

ZINC22921616

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 12 Yes

Popular Name: N-[1-(aminomethyl)-3-methylbutyl]-N,N-diethylamine N-[1-(aminomethyl)-3-methylbutyl…

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CAS Number: 941400-56-2

Other Names:

MFCD09413278

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) 1.54 2.77 -38.48 3 2 1 31 173.324 6 ↓
Hi High (pH 8-9.5) 1.54 4.62 -26.75 3 2 1 30 173.324 6 ↓
Mid Mid (pH 6-8) 1.54 4.31 -113.54 4 2 2 32 174.332 6 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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