UCSF

ZINC19735350

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 12 Yes

Popular Name: N,N-Dimethyl-N'-thiophen-2-ylmethyl-ethane-1,2-diamine N,N-Dimethyl-N'-thiophen-2-ylmet…

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CAS Number: 626216-21-5

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) 1.43 4.35 -35.4 2 2 1 16 185.316 5 ↓
Hi High (pH 8-9.5) 1.43 1.82 -2.3 1 2 0 15 184.308 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 60-61°/0.13 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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