Cas no 37521-56-5 ( )
structure
Product Name:
CAS No:37521-56-5
MF:C12H9ClN4
MW:244.679660558701
CID:922362
PubChem ID:283017
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 9-chlorobenzo[f]quinazoline-1,3-diamine
- 1,3-Diamino-9-chlorobenzo[f]quinazoline
- DS-010346
- 37521-56-5
- PY-490
- MHT2YUU7MD
- UNII-MHT2YUU7MD
- Benzo[f]quinazoline-1,3-diamine, 9-chloro-
- DTXSID50190965
- CHEMBL1213685
- 1,3-Diamino-9-chlorobenzo(f)quinazoline
- NSC137191
- NSC 137191
- NSC-137191
- Benzo(f)quinazoline-1,3-diamine, 9-chloro-
- PY 490
-
-
- Inchi： 1S/C12H9ClN4/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(14)17-12(15)16-9/h1-5H,(H4,14,15,16,17)
- InChI Key： YLALQNZRNZTGHV-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C=CC3C(=C(N)N=C(N)N=3)C=2C=1
Computed Properties
- Exact Mass: 244.05177
- Monoisotopic Mass: 244.0515740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 288
- 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: 2.7
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.82
Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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