| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 12 | Yes |
Popular Name: (S)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-METHANOL (S)-1,2,3,4-TETRAHYDROISOQUINOLI…
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CAS Numbers: 1881-17-0 , 18881-17-9 , 62855-02-1 , 62928-94-3 , 63006-93-9 , [18881-17-9]
"(3R)-1,2,3,4-Tetrahydroisoquinolin-3-ylmethanol, 98%"
"(3S)-1,2,3,4-Tetrahydroisoquinolin-3-ylmethanol, 98%"
(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol
(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol
(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
(3S)-3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline
(3S)-3-(Hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline 97%
(R)-(1,2,3,4-Tetrahydroisoquinolin-3-YL)-Methanol
(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol
(S)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
(S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol
(S)-1,2,3,4-Tetrahydroisoquinolylmethan-3-ol, 98%
(s)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline
(±)-3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-tetrahydroisoquinolin-3-ylmethanol
1,2,3,4-Tetrahydroisoquinoline-3-methanol
| 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) | 0.84 | 0.66 | -5.64 | 2 | 2 | 0 | 32 | 163.22 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 114 | TCI |
| Mp [°C] | 114 - 116 | Acros Organics |
| Purity | 95% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | 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; 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 IN EYES: Rinse cautiously with water | 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 |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-3-E | Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6600 | 0.60 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6600 | 0.60 | Binding ≤ 10μM |
| ADA2C-3-E | Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 6600 | 0.60 | Binding ≤ 10μM |
| PNMT-1-E | Phenylethanolamine N-methyltransferase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2400 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 6600 | 0.60 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 6600 | 0.60 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 6600 | 0.60 | Binding ≤ 10μM |
| PNMT_BOVIN | P10938 | Phenylethanolamine N-methyltransferase, Bovin | 1100 | 0.70 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
