Cas no 5544-05-8 (4(1H)-Quinazolinone, 2-amino-1-methyl-)
5544-05-8 structure
Product Name:4(1H)-Quinazolinone, 2-amino-1-methyl-
CAS No:5544-05-8
MF:C9H9N3O
MW:175.187261343002
CID:351935
PubChem ID:13111346
Update Time:2025-04-19
4(1H)-Quinazolinone, 2-amino-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Quinazolinone, 2-amino-1-methyl-
- 2-amino-1-methylquinazolin-4-one
- 2-Amino-1-methylquinazolin-4(1H)-one
- 5544-05-8
- DTXSID60518575
-
- Inchi： 1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(13)11-9(12)10/h2-5H,1H3,(H2,10,11,13)
- InChI Key： JSGNPOQOBHVVRT-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2N(C)C(N)=N1
Computed Properties
- Exact Mass: 175.07467
- Monoisotopic Mass: 175.074561919g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 262
- 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: 0.3
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- PSA: 58.69
4(1H)-Quinazolinone, 2-amino-1-methyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
5544-05-8 (4(1H)-Quinazolinone, 2-amino-1-methyl-) Related Products
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