Cas no 36251-48-6 (Propanedinitrile, (1-aminopropylidene)-)
36251-48-6 structure
Product Name:Propanedinitrile, (1-aminopropylidene)-
CAS No:36251-48-6
MF:C6H7N3
MW:121.139880418777
CID:1473309
PubChem ID:2786756
Update Time:2025-04-20
Propanedinitrile, (1-aminopropylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (1-aminopropylidene)-
- 2-(1-aminopropylidene)propanedinitrile
- AKOS006293478
- 36251-48-6
- SCHEMBL10298256
- DTXSID40383041
-
- Inchi： 1S/C6H7N3/c1-2-6(9)5(3-7)4-8/h2,9H2,1H3
- InChI Key： ICGAWAJFQQNULG-UHFFFAOYSA-N
- SMILES： N/C(=C(\C#N)/C#N)/CC
Computed Properties
- Exact Mass: 121.06411
- Monoisotopic Mass: 121.063997236g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 201
- 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: 73.6?2
Experimental Properties
- PSA: 73.6
Propanedinitrile, (1-aminopropylidene)- Related Literature
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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