UCSF

ZINC01697891

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1167414-92-7 , 1261268-95-4 , 13078-80-3 , 1398109-11-9 , 39959-67-6 , 68285-26-7 , 856629-37-3 , [39959-67-6] , [68285-26-7] , [856629-37-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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 3.65 -43.23 3 1 1 28 156.636 1 ↓
Hi High (pH 8-9.5) 0.45 4.03 -96.5 7 8 2 126 391.479 4 ↓

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

Activity (Go SEA)

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