UCSF

ZINC06505509

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 15 No

Popular Name: 1-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-2,4-difluorobenzene hydrochloride 1-{[{[amino(imino)methyl]amino}(…

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CAS Numbers: 66088-52-6 , [66088-52-6]

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) 0.58 5.53 -37.29 7 5 1 100 214.199 4 ↓
Mid Mid (pH 6-8) 0.58 5.67 -6.79 6 5 0 98 213.191 4 ↓
Mid Mid (pH 6-8) 0.58 5.56 -4.55 6 5 0 98 213.191 4 ↓
Lo Low (pH 4.5-6) 0.45 4.69 -14.44 7 5 0 102 214.199 3 ↓
Lo Low (pH 4.5-6) 0.45 5.34 -7.52 6 5 0 100 213.191 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 2.550000000000000e+002 - 2.580000000000000e+002 KeyOrganics
MP 226-228° Matrix Scientific
melting_point 255 - 258 KeyOrganics
Warnings Irritant Matrix Scientific
PUBCHEM_PATENT_ID US4183956; US4219567; US4283555 IBM Patent Data

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