Cas no 140136-87-4 (Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl-)
![Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl- structure](https://ossimg.kuujia.com/scimg/140500/140136-87-4x500.png)
140136-87-4 structure
Product Name:Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl-
CAS No:140136-87-4
MF:C10H20N2
MW:168.279202461243
CID:1283732
PubChem ID:71343161
Update Time:2025-04-20
Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl-
- 2-pentylbicyclo[1.1.1]pentane-1,3-diamine
- DTXSID20769804
- 140136-87-4
-
- Inchi： 1S/C10H20N2/c1-2-3-4-5-8-9(11)6-10(8,12)7-9/h8H,2-7,11-12H2,1H3
- InChI Key： GOTBSGDTXAGBAY-UHFFFAOYSA-N
- SMILES： NC12CC(C1)(C2CCCCC)N
Computed Properties
- Exact Mass: 168.1628
- Monoisotopic Mass: 168.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 164
- 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: 1.2
- Topological Polar Surface Area: 52?2
Experimental Properties
- PSA: 52.04
Bicyclo[1.1.1]pentane-1,3-diamine, 2-pentyl- Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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