In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2005 | 26 | No |
Popular Name: Dicyclohexano-18-crown-6 Dicyclohexano-18-crown-6
Find On: PubMed — Wikipedia — Google
CAS Numbers: 16069-36-6 , [16069-36-6]
cis-Dicyclohexano-18-crown-6, 98%, mixture of syn-cis and anti-cis isomers
dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-
Dicyclohexano-18-crown 6-Ether
Dicyclohexano-18-crown-6, mixture of isomers
Dicyclohexano-18-crown-6, mixture of isomers, 97%
ICOSAHYDRODIBENZOHEXAOXACYCLOOCTADECINE BK147101316[[]]-,,,,,,
Icosahydrodibenzo[b,k][1,4,7,10,13,16]-hexaoxacyclooctadecine
icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
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) | 2.10 | -3.15 | -8.64 | 0 | 6 | 0 | 55 | 372.502 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 181 - 183 | Acros Organics |
BP | 344 | TCI |
Melting_Point | 46-53? | Alfa-Aesar |
Melting_Point | 46-53° | Alfa-Aesar |
Mp [°C] | 47 - 53 | Acros Organics |
MP | 50-60° | Oakwood Chemical |
Purity | 97% | Fluorochem |
H phrase | H331: Toxic if inhaled | Acros Organics |
H phrase | H331: Toxic if inhaled; H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H311: Toxic in contact with skin; H319: Causes serious eye irritation | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
R phrase | R23/24/25: Toxic by inhalation, in contact with skin and 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.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S38: | Acros Organics |
Hazard | T: Toxic | Acros Organics |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81331-2-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #2 Of 6), Other | Other | 7000 | 0.28 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 7000 | 0.28 | Functional ≤ 10μM |