Cas no 7530-86-1 (Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]-)
![Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]- structure](https://ossimg.kuujia.com/scimg/8000/7530-86-1x500.png)
7530-86-1 structure
Product Name:Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]-
CAS No:7530-86-1
MF:C4H15N5
MW:133.195399522781
CID:539769
PubChem ID:13628880
Update Time:2025-04-19
Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]-
- N'-[[(aminomethylamino)methylamino]methyl]methanediamine
- 7530-86-1
- DTXSID70545418
- N~1~,N~1'~-[Azanediylbis(methylene)]dimethanediamine
- SCHEMBL10724194
-
- Inchi： 1S/C4H15N5/c5-1-7-3-9-4-8-2-6/h7-9H,1-6H2
- InChI Key： YYEDVSACXXVOPR-UHFFFAOYSA-N
- SMILES： N(CNCN)CNCN
Computed Properties
- Exact Mass: 133.13295
- Monoisotopic Mass: 133.13274550g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 6
- Complexity: 42.2
- 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: -2.6
- Topological Polar Surface Area: 88.1?2
Experimental Properties
- PSA: 88.13
Methanediamine, N-(aminomethyl)-N'-[[(aminomethyl)amino]methyl]- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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