N-Methylcoclaurine (CAS 5096-70-8) — formula C18H21NO3, molecular weight 299.4; category organic chemicals.
| CAS Number | 5096-70-8 |
|---|---|
| Molecular Formula | C18H21NO3 |
| Molecular Weight | 299.4 |
| LogP | 3 |
| Category | Organic Chemicals |
N-Methylcoclaurine is a carbon-based organic compound with CAS registry number 5096-70-8 and molecular formula C18H21NO3 (molecular weight 299.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5096-70-8
Its molecular formula C18H21NO3 comprises 18 C, 21 H, 1 N, 3 O atoms.
Also known as: N-Methylcoclaurine · N-甲基衡州乌药碱
Category: organic chemicals
The CAS registry number of N-Methylcoclaurine is 5096-70-8.
Molecular formula C18H21NO3, molecular weight 299.4.
It is also registered under: N-Methylcoclaurine, N-甲基衡州乌药碱.
Category: Organic Chemicals.
Independent reference data for N-Methylcoclaurine (CAS 5096-70-8), compiled from public chemistry databases.
| CAS 号 | 5096-70-8 |
|---|---|
| PubChem CID | 440595 |
| 分子式 | C18H21NO3 |
| IUPAC 名称 | (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Molecular Weight | 299.4 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 299.15214353 |
| Monoisotopic Mass | 299.15214353 |
| Topological Polar Surface Area | 52.9 |
| Heavy Atom Count | 22 |
(R)-N-Methylcoclaurine; (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; CHEBI:16387; DTXSID80198974; (R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol; (1R)-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol; (R)-1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinol; RefChem:1051099; DTXCID40121465; 5096-70-8; (-)-N-methylcoclaurine; 1betaH-Coclaurine, 2-methyl-; (-)-1(R)-N-Methylcoclaurine; C05243; 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-, (R)-; AC1L99LI
N-甲基衡州乌药碱 · CAS 5096-70-8 · C18H21NO3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-甲基衡州乌药碱