UCSF

ZINC08283844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2006 6 Yes

Popular Name: 2-Methylimidazole 2-Methylimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 103639-04-9 , 534-26-9 , 693-98-1 , [693-98-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.01 2.47 -28.07 2 2 1 30 83.114 0 ↓
Mid Mid (pH 6-8) 0.01 1.98 -6.74 1 2 0 29 82.106 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 142 - 145 Acros Organics
Melting_Point 142-144? Alfa-Aesar
Melting_Point 142-144° Alfa-Aesar
MP 144 TCI
MP 144 - 146 Enamine Building Blocks
MP 144...146 Enamine Building Blocks
Boiling_Point 267-268? Alfa-Aesar
Boiling_Point 267-268° Alfa-Aesar
BP [°C] 270 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 98+% Fluorochem
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP0011276A1; EP0014402A1; EP0017931A2; EP0084893A2; EP0129791A2; EP0162224A2; EP0211744A1; EP0211744B1; EP0361317A2; EP0361317B1; EP0397365B1; EP0416373A3; EP0451538A2; EP0451538B1; EP0529973A1; EP0562833A1; EP0562833B1; EP0682663A1; EP0683776A1; EP068377 IBM Patent Data
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics

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

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