Cas no 139265-96-6 (1(2H)-Isoquinolinimine(9CI))
1(2H)-Isoquinolinimine(9CI) structure
Product Name:1(2H)-Isoquinolinimine(9CI)
1(2H)-Isoquinolinimine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Isoquinolinimine(9CI)
- DB-043185
- MFCD00024137
- isoquinolinimine
- 2ohk
- Q27287501
- 1532-84-9
- EINECS 216-243-2
- isoquinolin-1-ylamine
- AKOS006220712
- 1SQ
- 3kpw
- 1-ISOQUINOLINAMINE
- AM20050832
- InChI=1/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11
- Isoquinolin-1-amine
- PD119379
- 1-amino isoquinoline
- aminoisoquinoline
- CS-W000494
- UNII-QUG12T52WZ
- BDBM14320
- 1-Aminoisoquinoline, 99%
- DTXSID40165283
- NS00048280
- Isoquinoline, 1-amino-
- 1-Aminoisoquinoline
- TS-01883
- J-400099
- BIDD:GT0381
- CHEMBL62083
- EN300-179397
- 139265-96-6
- SY007847
- 1-amino-isoquinoline
- AC-907/25014244
- F8886-6096
- isoquinolin-1-yl-amine
- SCHEMBL4797349
- Z1203162487
- QUG12T52WZ
- SCHEMBL49220
- BCP05774
- A3368
-
- Inchi： 1S/C9H8N2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H,(H2,10,11)
- InChI Key： OSILBMSORKFRTB-UHFFFAOYSA-N
- SMILES： N1C=CC2C=CC=CC=2C=1N
Computed Properties
- Exact Mass: 144.06884
- Monoisotopic Mass: 144.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 136
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 38.9?2
Experimental Properties
- PSA: 35.88
1(2H)-Isoquinolinimine(9CI) Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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