In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 15 | No |
Popular Name: N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide N-(3-formyl-4-pyridinyl)-2,2-dim…
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CAS Numbers: 86847-71-4 , [86847-71-4]
"N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide, 97%"
2,2-Dimethyl-N-(3-formylpyridin-4-yl)propanamide
4-[(2,2-Dimethylpropanoyl)amino]-3-formylpyridine
FORMYLPYRIDINYLDIMETHYLPROPIONAMID
N-(3-Formyl-pyridin-4-yl)-2,2-dimethyl-propionamide
N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide
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) | 1.30 | 3.78 | -9.51 | 1 | 4 | 0 | 59 | 206.245 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 60 - 62 | Enamine Building Blocks |
Mp [°C] | 60 - 64 | Acros Organics |
MP | 60...62 | Enamine Building Blocks |
MP | 62.9-63.1° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
H phrase | H315: Causes skin irritation | Acros Organics |
H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
R phrase | 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 | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.