UCSF

ZINC03389509

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 10 Yes

Popular Name: 1-(2-Chlorophenyl)ethanamine 1-(2-Chlorophenyl)ethanamine

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CAS Numbers: 1167414-92-7 , 1261268-95-4 , 127733-42-0 , 13078-80-3 , 39959-67-6 , 68285-26-7 , 856629-37-3 , [1167414-92-7] , [127733-42-0] , [39959-67-6] , [856629-37-3]

Download: MOL2 SDF SMILES Flexibase

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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) 0.43 3.67 -43.02 3 1 1 28 156.636 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 178 - 180 Enamine Building Blocks
MP 178...180 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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