Cas no 10166-07-1 (Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1))
10166-07-1 structure
Product Name:Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1)
CAS No:10166-07-1
MF:C16H18ClN
MW:259.773823261261
CID:220014
PubChem ID:25022
Update Time:2025-04-19
Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1)
- 2-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium,chloride
- Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (9CI)
- Isoquinoline,2-benzyl-1,2,3,4-tetrahydro-, hydrochloride (7CI,8CI)
- 2-Benzyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
- ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-BENZYL-, HYDROCHLORIDE
- 10166-07-1
-
- Inchi： 1S/C16H17N.ClH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-9H,10-13H2;1H
- InChI Key： ABJVULXWDMVKQU-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+]1(CC2C=CC=CC=2)CC2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 259.11294
- Monoisotopic Mass: 259.1127773g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 232
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 4.4?2
Experimental Properties
- PSA: 5.9
Isoquinoline,1,2,3,4-tetrahydro-2-(phenylmethyl)-, hydrochloride (1:1) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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