Cas no 31081-41-1 (n,n,n'-trimethylguanidine)
n,n,n'-trimethylguanidine structure
Product Name:n,n,n'-trimethylguanidine
CAS No:31081-41-1
MF:C4H11N3
MW:101.150240182877
CID:916355
PubChem ID:141619
Update Time:2025-04-19
n,n,n'-trimethylguanidine Chemical and Physical Properties
Names and Identifiers
-
- n,n,n'-trimethylguanidine
- SCHEMBL10288873
- 31081-41-1
- 1,1,3-trimethylguanidine
- N,N,N''-trimethylguanidine
- NSC-227864
- DTXSID30185031
- NQOFYFRKWDXGJP-UHFFFAOYSA-N
- Guanidine,1,3-trimethyl-
- trimethylguanidin
- Guanidine,N,N'-trimethyl-
- N,N'-trimethylguanidine
- SCHEMBL244908
- EN300-6491925
- NSC227864
- 31081-14-8
- 1,1,2-trimethylguanidine
- AKOS011644705
-
- Inchi： 1S/C4H11N3/c1-6-4(5)7(2)3/h1-3H3,(H2,5,6)
- InChI Key： NQOFYFRKWDXGJP-UHFFFAOYSA-N
- SMILES： N(C)(C)/C(/N)=N/C
Computed Properties
- Exact Mass: 101.09543
- Monoisotopic Mass: 101.095297364g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 75
- 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: -0.7
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- PSA: 41.62
n,n,n'-trimethylguanidine Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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