UCSF

ZINC03861395

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 No

Popular Name: N-Methyl-2-nitroaniline N-Methyl-2-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 612-28-2 , [612-28-2]

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) 1.71 4.17 -7.87 1 4 0 58 152.153 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0260744A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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