Cas no 15271-46-2 (Guanidine, [4-[(3-aminopropyl)amino]butyl]-)
![Guanidine, [4-[(3-aminopropyl)amino]butyl]- structure](https://ossimg.kuujia.com/scimg/15500/15271-46-2x500.png)
15271-46-2 structure
Product Name:Guanidine, [4-[(3-aminopropyl)amino]butyl]-
Guanidine, [4-[(3-aminopropyl)amino]butyl]- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine, [4-[(3-aminopropyl)amino]butyl]-
- 2-[4-(3-aminopropylamino)butyl]guanidine
- N-(4-[(3-Aminopropyl)amino]butyl)guanidine #
- 1-{4-[(3-Aminopropyl)amino]butyl}guanidine
- CHEBI:64339
- N1-aminopropylagmatine
- N1-(3-Aminopropyl)agmatine
- N(1)-aminoaminopropylagmatine
- AG3
- DTXSID20337289
- XYCUJKFFVBCJEF-UHFFFAOYSA-N
- 15271-46-2
- SCHEMBL1736028
- N-8-Guanidino-spermidine
- C20560
- Q27133226
- N(1)-(3-aminoaminopropyl)agmatine
- guanylspermidine
-
- Inchi： 1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13)
- InChI Key： XYCUJKFFVBCJEF-UHFFFAOYSA-N
- SMILES： N(CCCN)CCCC/N=C(\N)/N
Computed Properties
- Exact Mass: 187.17993
- Monoisotopic Mass: 187.17969569g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 131
- 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: -1.6
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 99.95
Guanidine, [4-[(3-aminopropyl)amino]butyl]- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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