Cas no 31309-66-7 (3-Isoquinolinamine,4-(4-aminophenyl)-1-bromo-)
31309-66-7 structure
Product Name:3-Isoquinolinamine,4-(4-aminophenyl)-1-bromo-
CAS No:31309-66-7
MF:C15H12BrN3
MW:314.179882049561
CID:318333
PubChem ID:318701
Update Time:2025-04-19
3-Isoquinolinamine,4-(4-aminophenyl)-1-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoquinolinamine,4-(4-aminophenyl)-1-bromo-
- NSC-256933
- NSC256933
- 4-(4-aminophenyl)-1-bromoisoquinolin-3-amine
- DTXSID40312538
- 31309-66-7
-
- Inchi： 1S/C15H12BrN3/c16-14-12-4-2-1-3-11(12)13(15(18)19-14)9-5-7-10(17)8-6-9/h1-8H,17H2,(H2,18,19)
- InChI Key： QOLPUXGNCDMERI-UHFFFAOYSA-N
- SMILES： BrC1=C2C=CC=CC2=C(C(N)=N1)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 313.02156
- Monoisotopic Mass: 313.021
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 304
- 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: 3.7
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- Density: 1.549
- Boiling Point: 478°C at 760 mmHg
- Flash Point: 242.9°C
- Refractive Index: 1.753
- PSA: 64.93
3-Isoquinolinamine,4-(4-aminophenyl)-1-bromo- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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