UCSF

ZINC00170199

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 10 No

Popular Name: 1-[(ammoniooxy)methyl]-2-chlorobenzene chloride 1-[(ammoniooxy)methyl]-2-chlorob…

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CAS Numbers: 5555-48-6 , [5555-48-6]

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) 1.91 3.1 -3.62 2 2 0 35 157.6 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 145 - 148 KeyOrganics
MP 145-148° Matrix Scientific
Purity >95% Matrix Scientific
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.