UCSF

ZINC03883219

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 17 Yes

Popular Name: 2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carbonitrile 2-amino-1-benzyl-4,5-dimethyl-1H…

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CAS Numbers: 55817-72-6 , [55817-72-6]

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) 2.40 2.11 -9.51 2 3 0 55 225.295 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 152 - 155 KeyOrganics
MP 152-155° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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