In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 17th, 2004 | 15 | Yes |
Popular Name: 1-Boc-4-cyanopiperidine 1-Boc-4-cyanopiperidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 91419-52-2 , [91419-52-2]
"1-N-Boc-4-cyano-piperidine, 98%"
1-Boc-piperidine-4-carbonitrile
1-Dimethylethyl 4-cyano-1-piperidinecarboxylate
4-Cyano-piperidine-1-carboxylic acid tert-butyl ester
N-Boc-piperidine-4-carbonitrile
N-BOC-Piperidine-4-carbonitrile, 97%
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) | 1.94 | 5.82 | -10.32 | 0 | 4 | 0 | 53 | 210.277 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 45-48? | Alfa-Aesar |
Melting_Point | 45-48° | Alfa-Aesar |
Mp [°C] | 59 - 61 | Acros Organics |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95+% | Matrix Scientific |
Purity | 96% | Fluorochem |
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 |
Warnings | IRRITANT | Matrix Scientific |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
Warnings | Toxic | Matrix Scientific |
Hazard | XN: Harmful | Acros Organics |