UCSF

ZINC00167053

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 2-Chloro-N-methylaniline 2-Chloro-N-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1187385-64-3 , 932-32-1 , [1187385-64-3]

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) 2.42 -0.49 -2.71 1 1 0 12 141.601 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 218? Alfa-Aesar
Boiling_Point 218° Alfa-Aesar
BP 94-96°/16mm Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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