| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 4th, 2008 | 8 | Yes |
Popular Name: Methyl 3-aminocrotonate Methyl 3-aminocrotonate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14205-39-1 , [14205-39-1]
"Methyl 3-aminocrotonate, 97%"
3-Aminocrotonic acid methyl ester
3-Aminocrotonic acid methyl ester, 99%+
methyl (2E)-3-aminobut-2-enoate
| 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) | 0.59 | 1.32 | -6.89 | 2 | 3 | 0 | 52 | 115.132 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 122?/42mm | Alfa-Aesar |
| Boiling_Point | 122°/42mm | Alfa-Aesar |
| Mp [°C] | 81 - 83 | Acros Organics |
| Melting_Point | 81-85? | Alfa-Aesar |
| Melting_Point | 81-85° | Alfa-Aesar |
| MP | 81...83 | Enamine Building Blocks |
| MP | 83 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin 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; 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.