| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 1,2,3,4-Tetrahydroisoquinoline 1,2,3,4-Tetrahydroisoquinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14099-81-1 , 91-21-4 , [91-21-4]
"1,2,3,4-Tetrahydroisoquinoline, 97%"
1,2,3,4-Tetrahydro-isoquinoline
1,2,3,4-TETRAHYDRO-ISOQUINOLINE HCL
1,2,3,4-TETRAHYDROISOQUINOLINE hydrochloride
1,2,3,4-Tetrahydroisoquinoline, 95%
1,2,3,4-Tetrahydroisoquinoline, 97%
1,2,3,4-TetrahydroisoquinolineHydrochloride
| 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) | 1.49 | 4.57 | -40.83 | 2 | 1 | 1 | 17 | 134.202 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 30 | Acros Organics |
| Melting_Point | 30? | Alfa-Aesar |
| Melting_Point | 30° | Alfa-Aesar |
| BP [°C] | 232 - 233 | Acros Organics |
| Boiling_Point | 232-233? | Alfa-Aesar |
| Boiling_Point | 232-233° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H318: Causes serious eye damage; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.