| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 14 | Yes |
Popular Name: 1-BOC-3-piperidone 1-BOC-3-piperidone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 98977-36-7 , N/A
1-(tert-Butoxycarbonyl)-3-piperidone
3-Oxo-piperidine-1-carboxylic acid tert-butyl ester
n-(tert-butoxycarbonyl)-3-piperidinone
| 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) | 0.95 | 4.56 | -8.82 | 0 | 4 | 0 | 47 | 199.25 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 35 - 40 | Enamine Building Blocks |
| MP | 35-40 | Matrix Scientific |
| MP | 35-40° | Oakwood Chemical |
| MP | 35...40 | Enamine Building Blocks |
| Mp [°C] | 37 - 39 | Acros Organics |
| Melting_Point | 37-39? | Alfa-Aesar |
| Melting_Point | 37-39° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation | Acros Organics |
| Warnings | KEEP COLD | Matrix Scientific |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | 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 protection/face protection; P305 + P351 + P338: IF IN E | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/38: Irritating to eyes 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 |
| Warnings | Store in Freezer | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.