Cas no 54987-33-6 (4(3H)-Quinazolinone, 3-amino-2-(2-aminophenyl)-)
54987-33-6 structure
Product Name:4(3H)-Quinazolinone, 3-amino-2-(2-aminophenyl)-
CAS No:54987-33-6
MF:C14H12N4O
MW:252.271282196045
CID:353146
PubChem ID:14045517
Update Time:2025-04-19
4(3H)-Quinazolinone, 3-amino-2-(2-aminophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Quinazolinone, 3-amino-2-(2-aminophenyl)-
- 3-amino-2-(2-aminophenyl)quinazolin-4-one
- 3-Amino-2-(2-aminophenyl)quinazolin-4(3H)-one
- 3-amino-2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one
- DTXSID30554960
- 54987-33-6
-
- Inchi： 1S/C14H12N4O/c15-11-7-3-1-5-9(11)13-17-12-8-4-2-6-10(12)14(19)18(13)16/h1-8H,15-16H2
- InChI Key： ZWNHOFFIPSLKDU-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2N=C(C2C=CC=CC=2N)N1N
Computed Properties
- Exact Mass: 252.10126
- Monoisotopic Mass: 252.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 395
- 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: 1.1
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 84.71
4(3H)-Quinazolinone, 3-amino-2-(2-aminophenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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