Cas no 17012-30-5 (1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile)
17012-30-5 structure
Product Name:1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
CAS No:17012-30-5
MF:C11H12N2O
MW:188.225782394409
MDL:MFCD00487108
CID:1352089
PubChem ID:1389675
Update Time:2025-04-20
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-
- 1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
- 2,3,5,6,7,8-hexahydro-1-methyl-3-oxo-4-Isoquinolinecarbonitrile
- 1-methyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
- 3-hydroxy-1-methyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
- NSC-829748
- AKOS001012678
- HMS2453D19
- CHEMBL118163
- MFCD00487108
- SMR000144967
- G39889
- HMS1768P20
- AG-205/08592021
- STK386361
- 4-cyano-2,3,5,6,7,8-hexahydro-1-methyl-3-oxoisoquinoline
- SR-01000510205-1
- 17012-30-5
- AKOS005748724
- Z56766905
- UELWLLSJFNZKKZ-UHFFFAOYSA-N
- Oprea1_737939
- MLS000550839
- CS-0243144
- DTXSID20362596
- 3-hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
- DB-302176
- Oprea1_833476
- SCHEMBL7271706
- 1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile
- SR-01000510205
- 1-methyl-3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile
- NSC829748
- EN300-25998658
- 4-cyano-1-methyl-5,6,7,8-tetrahydro-3(2h)-isoquinolinone
- STL148398
- 3-hydroxy-1-methyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
-
- MDL： MFCD00487108
- Inchi： 1S/C11H12N2O/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)
- InChI Key： UELWLLSJFNZKKZ-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C2CCCCC2=C(C)N1
Computed Properties
- Exact Mass: 188.09506
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 406
- 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: 1
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 56.91
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM240247-1g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
17012-30-5 | 97% | 1g |
$421 | 2021-08-04 | |
| Chemenu | CM240247-5g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
17012-30-5 | 97% | 5g |
$1169 | 2021-08-04 | |
| Chemenu | CM240247-10g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
17012-30-5 | 97% | 10g |
$1636 | 2021-08-04 | |
| TRC | M223815-10mg |
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile |
17012-30-5 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M223815-50mg |
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile |
17012-30-5 | 50mg |
$ 185.00 | 2022-06-04 | ||
| TRC | M223815-100mg |
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile |
17012-30-5 | 100mg |
$ 275.00 | 2022-06-04 | ||
| Chemenu | CM240247-1g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
17012-30-5 | 97% | 1g |
$495 | 2022-09-02 | |
| abcr | AB381325-250mg |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile; . |
17012-30-5 | 250mg |
€301.00 | 2025-04-20 | ||
| abcr | AB381325-1g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile; . |
17012-30-5 | 1g |
€661.00 | 2025-04-20 | ||
| abcr | AB381325-5g |
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile; . |
17012-30-5 | 5g |
€1783.00 | 2025-04-20 |
1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
17012-30-5 (1-Methyl-3-oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile) Related Products
- 91487-38-6(3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-4,6-dipropyl-)
- 136562-04-4(5-Ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile)
- 103318-91-8(4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo-)
- 103318-96-3(4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1-methyl-3,7-dioxo-)
- 108106-97-4(2-oxo-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile)
- 55407-71-1(2H-Cyclopenta[c]pyridine-4-carbonitrile,3,5,6,7-tetrahydro-1-methyl-3-oxo-)
- 154267-51-3(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile)
- 4241-13-8(2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile)
- 77821-79-5(1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo-)
- 91591-59-2(2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile)
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