In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 5th, 2004 | 7 | No |
Popular Name: Pyridine-N-oxide Pyridine-N-oxide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 694-59-7 , [694-59-7]
CPD0-2087; Pyridine oxide; Pyridine, 1-oxide; pyridine N-oxide perchlorate; pyridine-N-oxide
PY N-oxide; pyridine N-oxide; pyridine oxide; pyridine-1-oxide; pyridine-N-oxide
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) | -0.50 | 3.15 | -19.68 | 0 | 2 | 0 | 25 | 95.101 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 270 | Acros Organics |
Boiling_Point | 270? | Alfa-Aesar |
Boiling_Point | 270° | Alfa-Aesar |
Mp [°C] | 60 - 65 | Acros Organics |
Melting_Point | 61-66? | Alfa-Aesar |
Melting_Point | 61-66° | Alfa-Aesar |
MP | 62 | TCI |
UniProt Database Links | APO1_AGRAE | ChEBI |
Patent Database Links | EP0889044; EP0934940; EP0943613; EP1010692; EP1072595; EP1072601; EP1256342; EP1357103; EP1580188; EP1661886; EP1700844; EP1891951; EP1911751; EP1916236; US2003092715; US2003232859; US2004122050; US2005004122; US2005020642; US2005038069; US2005095204; US2 | ChEBI |
H phrase | H302: Harmful if swallowed | Acros Organics |
H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
R phrase | R22: Harmful if swallowed. | Acros Organics |
R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.