Cas no 62476-84-0 (Guanidine,N,N'''-1,3-propanediylbis-)
62476-84-0 structure
Product Name:Guanidine,N,N'''-1,3-propanediylbis-
CAS No:62476-84-0
MF:C5H14N6
MW:158.204859256744
CID:510216
PubChem ID:6453661
Update Time:2025-04-19
Guanidine,N,N'''-1,3-propanediylbis- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N,N'''-1,3-propanediylbis-
- 2-[3-(diaminomethylideneamino)propyl]guanidine
- N-(3-GUANIDINOPROPYL)GUANIDINE
- 1-(3-carbamimidamidopropyl)guanidine
- 1,1'-(propane-1,3-diyl)diguanidine
- 1,3-Diguanidino-propan
- AC1O57UR
- AG-G-29490
- CTK5B5156
- EINECS 263-565-4
- N,N'''-Propandiyl-di-guanidin
- N,N'''-Propane-1,3-diylbis(guanidine)
- N,N'''-propanediyl-di-guanidine
- OR30503
- Trimethylen-diguanidin
-
- Inchi： 1S/C5H14N6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2,(H4,6,7,10)(H4,8,9,11)
- InChI Key： MSPDCJMYQNYOSY-UHFFFAOYSA-N
- SMILES： N(=C(/N)\N)/CCC/N=C(\N)/N
Computed Properties
- Exact Mass: 158.12822
- Monoisotopic Mass: 158.12799447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 134
- 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: -2.5
- Topological Polar Surface Area: 129?2
Experimental Properties
- PSA: 123.8
Guanidine,N,N'''-1,3-propanediylbis- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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