Cas no 88422-89-3 (Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl-)
88422-89-3 structure
Product Name:Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl-
CAS No:88422-89-3
MF:C17H17N
MW:235.323584318161
CID:633346
PubChem ID:13728598
Update Time:2025-04-19
Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl-
- 4,4-dimethyl-1-phenyl-3H-isoquinoline
- BRNYTOQCVNIUDM-UHFFFAOYSA-N
- SCHEMBL2333556
- 88422-89-3
- 4,4-dimethyl-1-phenyl-3,4-dihydroisoquinoline
- DTXSID00547783
-
- Inchi： 1S/C17H17N/c1-17(2)12-18-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11H,12H2,1-2H3
- InChI Key： BRNYTOQCVNIUDM-UHFFFAOYSA-N
- SMILES： N1=C(C2C=CC=CC=2)C2C=CC=CC=2C(C)(C)C1
Computed Properties
- Exact Mass: 235.136099547g/mol
- Monoisotopic Mass: 235.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 323
- 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: 4.2
- Topological Polar Surface Area: 12.4?2
Isoquinoline, 3,4-dihydro-4,4-dimethyl-1-phenyl- Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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