Cas no 7149-64-6 (2-methyl-1-phenyl-3,4-dihydro-1h-isoquinoline)
7149-64-6 structure
Product Name:2-methyl-1-phenyl-3,4-dihydro-1h-isoquinoline
CAS No:7149-64-6
MF:C16H17N
MW:223.312884092331
CID:1748642
PubChem ID:251645
Update Time:2025-04-21
2-methyl-1-phenyl-3,4-dihydro-1h-isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-1-phenyl-3,4-dihydro-1h-isoquinoline
- SureCN8415128
- AC1L5KB2
- 2-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
- Oprea1_574755
- 2-methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinoline
- Oprea1_032773
- AC1Q1HNF
- 2-Methyl-1-phenyl-1,2,3,4-tetrahydro-isochinolin
- NSC72278
- NCIOpen2_003822
- SureCN8415128; AC1L5KB2; 2-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline; Oprea1_574755; 2-methyl-1-phenyl-1,2,3,4-tetrahydro-isoquinoline; Oprea1_032773; AC1Q1HNF; 2-Methyl-1-phenyl-1,2,3,4-tetrahydro-isochinolin; NSC72278; NCIOpen2_003822;
- NSC 72278
- BDBM50017054
- DTXSID20290986
- NSC-72278
- CHEMBL278781
- 7149-64-6
- SCHEMBL8415128
- 1-phenyl-N-methyl-1,2,3,4-tetrahydro-isoquinoline
-
- Inchi： 1S/C16H17N/c1-17-12-11-13-7-5-6-10-15(13)16(17)14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3
- InChI Key： MKANNBGMJZQSFY-UHFFFAOYSA-N
- SMILES： N1(C)CCC2C=CC=CC=2C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 223.13621
- Monoisotopic Mass: 223.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- Density: 1.055
- Boiling Point: 321.2°C at 760 mmHg
- Flash Point: 134.7°C
- Refractive Index: 1.587
- PSA: 3.24
- LogP: 3.20180
2-methyl-1-phenyl-3,4-dihydro-1h-isoquinoline Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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