Cas no 73023-02-6 (1,5-propano-2h-1,5-benzodiazepine, 3,4-dihydro-)
73023-02-6 structure
Product Name:1,5-propano-2h-1,5-benzodiazepine, 3,4-dihydro-
CAS No:73023-02-6
MF:C12H16N2
MW:188.268842697144
CID:862549
PubChem ID:144570
Update Time:2025-04-19
1,5-propano-2h-1,5-benzodiazepine, 3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-propano-2h-1,5-benzodiazepine, 3,4-dihydro-
- 73023-02-6
- DTXSID60223298
-
- Inchi： 1S/C12H16N2/c1-2-6-12-11(5-1)13-7-3-9-14(12)10-4-8-13/h1-2,5-6H,3-4,7-10H2
- InChI Key： OHGZWOICYBLZOP-UHFFFAOYSA-N
- SMILES： N12C3C=CC=CC=3N(CCC1)CCC2
Computed Properties
- Exact Mass: 188.13148
- Monoisotopic Mass: 188.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 175
- 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: 2.4
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 1.14
- Boiling Point: 315.5°C at 760 mmHg
- Flash Point: 137.1°C
- Refractive Index: 1.628
- PSA: 6.48
1,5-propano-2h-1,5-benzodiazepine, 3,4-dihydro- 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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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