Cas no 116546-31-7 (3-[2-(2-cyanoethylamino)propylamino]propanenitrile)
![3-[2-(2-cyanoethylamino)propylamino]propanenitrile structure](https://ossimg.kuujia.com/scimg/117000/116546-31-7x500.png)
116546-31-7 structure
Product Name:3-[2-(2-cyanoethylamino)propylamino]propanenitrile
CAS No:116546-31-7
MF:C9H16N4
MW:180.250141143799
CID:2614867
PubChem ID:11126863
Update Time:2025-04-21
3-[2-(2-cyanoethylamino)propylamino]propanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-[2-(2-cyanoethylamino)propylamino]propanenitrile
- Propanenitrile, 3,3'-[(1-methyl-1,2-ethanediyl)diimino]bis-
- 116546-31-7
- SCHEMBL11139855
- DTXSID90456133
-
- Inchi： 1S/C9H16N4/c1-9(13-7-3-5-11)8-12-6-2-4-10/h9,12-13H,2-3,6-8H2,1H3
- InChI Key： RLCQHPZAPCADIJ-UHFFFAOYSA-N
- SMILES： N(CCC#N)C(C)CNCCC#N
Computed Properties
- Exact Mass: 180.137496527Da
- Monoisotopic Mass: 180.137496527Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 71.6?2
3-[2-(2-cyanoethylamino)propylamino]propanenitrile Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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