UCSF

ZINC19230153

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 10 Yes

Popular Name: Methenamine Methenamine

Find On: PubMed — Wikipedia — Google

CAS Number: 100-97-0

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) -0.06 -1.41 -32.88 1 4 1 14 141.198 0 ↓
Hi High (pH 8-9.5) -0.06 -3.95 -0.99 0 4 0 13 140.19 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 260 Acros Organics
Melting_Point 280? subl. Alfa-Aesar
Melting_Point 280° subl. Alfa-Aesar
Therapy antibacterial (urinary) SMDC Iconix
Melting_Point ca 280? subl. Alfa-Aesar
Melting_Point ca 280° subl. Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; XI: Irritant Acros Organics
H phrase H317: May cause an allergic skin reaction Acros Organics
H phrase H317: May cause an allergic skin reaction; H228: Flammable solid Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P233: Keep container tightly closed Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S24: Avoid contact with skin. Acros Organics
S phrase S24: Avoid contact with skin.; S37: Wear suitable gloves. Acros Organics

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

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