Cas no 93627-52-2 (Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI))
93627-52-2 structure
Product Name:Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI)
CAS No:93627-52-2
MF:C12H17N
MW:175.270083189011
CID:999912
PubChem ID:3029141
Update Time:2025-04-20
Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI)
- SCHEMBL1083820
- 2-Isopropyl-1,2,3,4-tetrahydroisoquinoline
- AKOS027419470
- 93627-52-2
- DB-287662
- Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)-
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- Inchi： 1S/C12H17N/c1-10(2)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10H,7-9H2,1-2H3
- InChI Key： UKXXZHBWKKSUGE-UHFFFAOYSA-N
- SMILES： N1(C(C)C)CC2C=CC=CC=2CC1
Computed Properties
- Exact Mass: 175.136
- Monoisotopic Mass: 175.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 165
- 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: 2.6
- Topological Polar Surface Area: 3.2?2
Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI) 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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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
93627-52-2 (Isoquinoline, 1,2,3,4-tetrahydro-2-(1-methylethyl)- (9CI)) Related Products
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