UCSF

ZINC04088510

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 12 No

Popular Name: 2,5-dimethyl-4-nitroaniline 2,5-dimethyl-4-nitroaniline

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CAS Numbers: 3139-05-7 , 3460-29-5 , N/A , [3139-05-7]

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) 2.13 0.36 -8.46 2 4 0 72 166.18 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 134 - 136 KeyOrganics
MP 134-136° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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