Cas no 5431-24-3 ( )
structure
Product Name:
CAS No:5431-24-3
MF:C10H13N3
MW:175.230321645737
CID:940619
PubChem ID:224786
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 8-methyl-5,6,7,8-tetrahydro-5,8-methanoquinazolin-2-amine
- AC1L5DJW
- AC1Q4W46
- AG-J-04063
- AR-1H4735
- CTK5A0458
- NSC13575
- NSC-13575
- 1-methyl-3,5-diazatricyclo[6.2.1.0,undeca-2,4,6-trien-4-amine
- DTXSID90279647
- 5431-24-3
- 1-methyl-3,5-diazatricyclo[6.2.1.0(2),]undeca-2,4,6-trien-4-amine
-
-
- Inchi： 1S/C10H13N3/c1-10-3-2-6(4-10)7-5-12-9(11)13-8(7)10/h5-6H,2-4H2,1H3,(H2,11,12,13)
- InChI Key： OUQBANAVTSRFTK-UHFFFAOYSA-N
- SMILES： N1C(N)=NC=C2C=1C1(C)CCC2C1
Computed Properties
- Exact Mass: 175.11109
- Monoisotopic Mass: 175.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.265
- Boiling Point: 360.6°C at 760 mmHg
- Flash Point: 199.3°C
- Refractive Index: 1.653
- PSA: 51.8
- LogP: 2.17880
Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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