| CAS Number | 824950-09-6 |
| Catalog Number | AG019S5G |
| Chemical Name | N-methyl-N-phenylguanidine; nitric acid |
| IUPAC Name | 1-methyl-1-phenylguanidine;nitric acid |
| InChI | InChI=1S/C8H11N3.HNO3/c1-11(8(9)10)7-5-3-2-4-6-7;2-1(3)4/h2-6H,1H3,(H3,9,10);(H,2,3,4) |
| InChI Key | VTBWASRDUNJKGJ-UHFFFAOYSA-N |
| MDL Number | MFCD20501968 |
| Molecular Formula | C8H12N4O3 |
| Molecular Weight | 212.2059 |
| SMILES | CN(C1=CC=CC=C1)C(N)=N.O[N+]([O-])=O |
| Synonyms | 1-methyl-1-phenylguanidine; nitric acid,
EN300-91841,
824950-09-6,
NE16636,
N-methyl-N-phenylguanidine; nitric acid,
1-methyl-1-phenylguanidine, nitric acid,
1-methyl-1-phenylguanidine; oxoazinic acid,
Z1269638527,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.209g/mol |
| Monoisotopic Mass | 212.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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