| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 6 | Yes |
Popular Name: Tetrahydropyran Tetrahydropyran
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-87-2 , 1266615-59-1 , 142-68-7 , 4432-31-9 , 93573-64-9
2-(4-Morpholinyl)ethanesulfonic acid hydrate
2H-tetrahydropyran; Oxacyclohexane; Pentamethylene oxide; THP; Tetrahydro-2H-pyran; Tetrahydropyran
4-Morpholineethanesulfonic acid hydrate
| 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) | 1.21 | 2.45 | -1.7 | 0 | 1 | 0 | 9 | 86.134 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 45 | Acros Organics |
| Melting_Point | 49? | Alfa-Aesar |
| Melting_Point | 49° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.81e+01 g/l | DrugBank-experimental |
| Boiling_Point | 87-89? | Alfa-Aesar |
| Boiling_Point | 87-89° | Alfa-Aesar |
| BP [°C] | 88 | Acros Organics |
| UniProt Database Links | APOBR_HUMAN; CCL16_HUMAN; CCL25_CANFA; CCL25_HUMAN; CCL25_MOUSE; CCL25_PIG; CCR5_HUMAN; CD209_HUMAN; CRLF2_HUMAN; CXL14_MOUSE; DAPD_ACIAC; DAPD_ACIAD; DAPD_ACIB3; DAPD_ACIB5; DAPD_ACIBA; DAPD_ACIBC; DAPD_ACIBS; DAPD_ACIBT; DAPD_ACIBY; DAPD_ACIET; DAPD_ACI | ChEBI |
| Melting_Point | ca 308? dec. | Alfa-Aesar |
| Melting_Point | ca 308° dec. | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0000488A1; EP0000500A2; EP0002097A1; EP0002258A2; EP0003002A2; EP0005758A1; EP0005911A1; EP0007468A1; EP0008077A2; EP0008755A1; EP0009892A1; EP0010360A1; EP0012109A2; EP0012347A1; EP0014963A2; EP0015690A1; EP0016296A1; EP0016725A1; EP0016900A1; EP001776 | IBM Patent Data |
| Patent Database Links | EP0805190; EP0826685; EP1052261; EP1110966; EP1123923; EP1206938; EP1314733; EP1361220; EP1408090; EP1466906; EP1468991; EP1479676; EP1482022; EP1516879; EP1568698; EP1655037; EP1671937; EP1674460; EP1777214; EP1787657; EP1995227; US2001025052; US20021026 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XI: Irritant | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor; EUH019: May form explosive peroxides | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P233: Keep container tightly closed; 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 | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R19: May form explosive peroxides.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S33: Take precautionary measures against static discharges.; S37/39: Wear suitable gloves and eye/fa | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.