Cas no 4594-02-9 (Nigellimine)
Nigellimine structure
Product Name:Nigellimine
CAS No:4594-02-9
MF:C12H13NO2
MW:203.237123250961
CID:330650
PubChem ID:20725
Update Time:2025-04-19
Nigellimine Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,6,7-dimethoxy-1-methyl-
- VBMZFACBWDZUSM-UHFFFAOYSA-N
- 6,7-Dimethoxy-1-methylisoquinoline, 9CI
- BRN 0148112
- DTXSID70196661
- Isosalsolidine
- AKOS024015288
- ISOQUINOLINE, 6,7-DIMETHOXY-1-METHYL-
- 1-Methyl-6,7-dimethoxyisochinolin
- 6,7-Dimethoxy-1-methylisoquinoline
- CHEBI:196004
- 5-21-05-00151 (Beilstein Handbook Reference)
- 4594-02-9
- 4722-12-7
- SCHEMBL3974591
- InChI=1/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h5-8H,4H2,1-3H
- Nigellimine
- 1-methyl-6,7-dimethoxyisoquinoline
-
- Inchi： 1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
- InChI Key： VBMZFACBWDZUSM-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC2C=CN=C(C)C=2C=1)OC
Computed Properties
- Exact Mass: 203.094628657g/mol
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 31.4?2
Nigellimine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | N670150-5mg |
Nigellimine |
4594-02-9 | 5mg |
$201.00 | 2023-05-17 | ||
| TRC | N670150-25mg |
Nigellimine |
4594-02-9 | 25mg |
$913.00 | 2023-05-17 | ||
| TRC | N670150-50mg |
Nigellimine |
4594-02-9 | 50mg |
$1568.00 | 2023-05-17 | ||
| TRC | N670150-100mg |
Nigellimine |
4594-02-9 | 100mg |
$ 3000.00 | 2023-09-06 |
Nigellimine Related Literature
-
1. A synthesis of aaptamine from 6,7-dimethoxy-1-methylisoquinolinePiotr Balczewski,M. Kieran J. Mallon,Jonathan D. Street,John A. Joule J. Chem. Soc. Perkin Trans. 1 1990 3193
-
2. 766. Chemical constitution and am?bicidal action. Part I. Synthesis of α-tetrahydroisoquinolino-ω-tetrahydro-1-isoquinolylalkanes related to emetineJ. M. Osbond J. Chem. Soc. 1951 3464
-
3. Studies on the syntheses of heterocyclic compounds. Part 681. A novel alkylation in the 4-position of isoquinoline derivativesTetsuji Kametani,Hideo Nemoto,Mie Takeuchi,Mitsuhiro Takeshita,Keiichiro Fukumoto J. Chem. Soc. Perkin Trans. 1 1977 386
-
4. The tautomerism of 3-hydroxyisoquinolinesD. A. Evans,G. F. Smith,M. A. Wahid J. Chem. Soc. B 1967 590
-
5. Studies on the syntheses of heterocyclic compounds. Part 673. New routes to benzo[a]quinolizinesTetsuji Kametani,Hirofumi Terasawa,Masataka Ihara J. Chem. Soc. Perkin Trans. 1 1976 2547
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