Cas no 90992-31-7 ( )
structure
Product Name:
CAS No:90992-31-7
MF:C6H18N4O4S
MW:242.296519756317
CID:995352
PubChem ID:352212
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- DTXSID60326213
- NSC-525352
- 90992-31-7
- NSC525352
- DS-007967
- 1-(2-dimethylaminoethyl)-1-methyl-guanidine
-
-
- Inchi： 1S/C6H16N4.H2O4S/c1-9(2)4-5-10(3)6(7)8;1-5(2,3)4/h4-5H2,1-3H3,(H3,7,8);(H2,1,2,3,4)
- InChI Key： XDPDDUXPTSHGPW-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)O.N(C)(C)CCN(C(=N)N)C
Computed Properties
- Exact Mass: 242.105
- Monoisotopic Mass: 242.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 192
- 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
- Topological Polar Surface Area: 139?2
Experimental Properties
- Boiling Point: 197.9°C at 760 mmHg
- Flash Point: 73.5°C
Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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