| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | Yes |
Popular Name: Pimelic acid Pimelic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111-16-0 , [111-16-0]
111-16-0; 6-Carboxyhexanoate; C02656; Heptanedioic acid; Pimelate; Pimelic acid
6-carboxyhexanoate; CPD-205; heptanedioate; pimelate; pimelic acid
| 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) | 0.86 | 4.07 | -100.5 | 0 | 4 | -2 | 80 | 158.153 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.33e+01 g/l | DrugBank-experimental |
| Melting_Point | 102-106? | Alfa-Aesar |
| Melting_Point | 102-106° | Alfa-Aesar |
| MP | 103 - 105 | Enamine Building Blocks |
| Mp [°C] | 103 - 106 | Acros Organics |
| M.P | 103-105 °C | Indofine |
| MP | 103-105° | Oakwood Chemical |
| MP | 103...105 | Enamine Building Blocks |
| MP | 106 | TCI |
| BP [°C] | 212 (p=10 torr) | Acros Organics |
| Boiling_Point | 212?/10mm | Alfa-Aesar |
| Boiling_Point | 212°/10mm | Alfa-Aesar |
| BP | 215 / 17 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| SOLUBILITY | ethanol: 0.1 g/mL, clear to very faintly hazy | Indofine |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | ODC_BOVIN; ODC_HUMAN; ODC_MOUSE; ODC_PONAB; ODC_RAT | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | 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 |
| Patent Database Links | WO2007105203 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
