UCSF

ZINC06733646

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 12 Yes

Popular Name: (S)-4-(1-Aminoethyl)-N,N-dimethylbenzenamine dihydrochloride (S)-4-(1-Aminoethyl)-N,N-dimethy…

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CAS Numbers: 91800-15-6 , 942995-65-5 , [942995-65-5]

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) -0.09 3.63 -42 3 2 1 31 165.26 2 ↓

Vendor Notes

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

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.