6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 905847-63-4) — formula C12H15NO4, molecular weight 237.25; category organic chemicals.
| CAS Number | 905847-63-4 |
|---|---|
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.25 |
| LogP | -1.4 |
| Category | Organic Chemicals |
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is a carbon-based organic compound with CAS registry number 905847-63-4 and molecular formula C12H15NO4 (molecular weight 237.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 905847-63-4
Its molecular formula C12H15NO4 comprises 12 C, 15 H, 1 N, 4 O atoms.
Also known as: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid · 6,7-二甲氧基-1,2,3,4-四氢异喹啉-3-羧酸
Category: organic chemicals
The CAS registry number of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 905847-63-4.
Molecular formula C12H15NO4, molecular weight 237.25.
It is also registered under: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 6,7-二甲氧基-1,2,3,4-四氢异喹啉-3-羧酸.
Category: Organic Chemicals.
Independent reference data for 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 905847-63-4), compiled from public chemistry databases.
| CAS Registry Number | 905847-63-4 |
|---|---|
| PubChem CID | 854137 |
| Molecular formula | C12H15NO4 |
| IUPAC name | (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| UNII (FDA) | 962K79T8SA |
| Molecular Weight | 237.25 |
|---|---|
| XLogP3 | -1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.10010796 |
| Monoisotopic Mass | 237.10010796 |
| Topological Polar Surface Area | 67.8 |
| Heavy Atom Count | 17 |
103733-66-0; (s)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; 962K79T8SA; DTXSID401161126; 1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid, (3S); 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (-)-; 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-; 3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-, (3S)-; (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid; RefChem:538678; DTXCID301592594; 600-480-7; (S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid; (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; MFCD06796546; 905847-63-4
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid · CAS 905847-63-4 · C12H15NO4. UNII 962K79T8SA.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.