Cas no 13429-32-8 (Guanidine,N-(2-hydroxyethyl)-N-methyl-)
13429-32-8 structure
Product Name:Guanidine,N-(2-hydroxyethyl)-N-methyl-
CAS No:13429-32-8
MF:C4H11N3O
MW:117.149640321732
CID:177927
PubChem ID:83440
Update Time:2025-04-19
Guanidine,N-(2-hydroxyethyl)-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N-(2-hydroxyethyl)-N-methyl-
- 1-(2-Hydroxyethyl)-1-methylguanidine
- N-(2-hydroxyethyl)-N-methylguanidine
- Einecs 236-551-0
- Creatinol
- NS00024336
- SCHEMBL670349
- 1-(2-hydroxy-ethyl)-1-methyl guanidine
- FT-0778256
- ORTUDDOFSUHQKZ-UHFFFAOYSA-N
- 13429-32-8
- DTXSID40158630
- AKOS006221414
-
- Inchi： 1S/C4H11N3O/c1-7(2-3-8)4(5)6/h8H,2-3H2,1H3,(H3,5,6)
- InChI Key： ORTUDDOFSUHQKZ-UHFFFAOYSA-N
- SMILES： OCCN(C(=N)N)C
Computed Properties
- Exact Mass: 117.09033
- Monoisotopic Mass: 117.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 83.4
- 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: -1.4
- Topological Polar Surface Area: 73.3?2
Experimental Properties
- PSA: 73.34
Guanidine,N-(2-hydroxyethyl)-N-methyl- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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