Cas no 25215-10-5 (Guanidine, conjugatemonoacid (9CI))
25215-10-5 structure
Product Name:Guanidine, conjugatemonoacid (9CI)
Guanidine, conjugatemonoacid (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanidine, conjugatemonoacid (9CI)
- Q27110397
- GUANIDINIUM
- diaminomethylideneazanium
- [C(NH2)3](+)
- 25215-10-5
- CHEBI:30087
- DTXSID30948067
- ZRALSGWEFCBTJO-UHFFFAOYSA-O
- diaminomethaniminium
-
- Inchi： 1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1
- InChI Key： ZRALSGWEFCBTJO-UHFFFAOYSA-O
- SMILES： [NH2+]=C(N)N
Computed Properties
- Exact Mass: 60.05628
- Monoisotopic Mass: 60.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 26.3
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.3
- Topological Polar Surface Area: 77.6?2
Experimental Properties
- Boiling Point: 132.9°C at 760 mmHg
- Flash Point: 34.2°C
- PSA: 77.51
Guanidine, conjugatemonoacid (9CI) Related Literature
-
Beau R. Brummel,Kinsey G. Lee,Joseph W. Kolis,Daniel C. Whitehead,Colin D. McMillen CrystEngComm 2021 23 1643
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Manoj Mandal,Chaitali Mukhopadhyay Phys. Chem. Chem. Phys. 2014 16 21706
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Zhenzhen Lai,Silei Bai,Aimin Li,Xinxin Feng,Qing He Org. Chem. Front. 2022 9 3571
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Kenji Mishiro,Takahiro Ueno,Hiroshi Wakabayashi,Masato Fukui,Seigo Kinuya,Kazuma Ogawa Org. Biomol. Chem. 2023 21 1937
-
Boxin Xue,Fen Wang,Jifu Zheng,Shenghai Li,Suobo Zhang Mol. Syst. Des. Eng. 2019 4 1039
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