| CAS Number | 1170909-72-4 |
| Catalog Number | AG000DP1(AGN-PC-0WR4EC) |
| Chemical Name | 1-(2-Methyl-5-nitrophenyl)biguanide, HCl |
| IUPAC Name | 1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine;hydrochloride |
| InChI | InChI=1S/C9H12N6O2.ClH/c1-5-2-3-6(15(16)17)4-7(5)13-9(12)14-8(10)11;/h2-4H,1H3,(H6,10,11,12,13,14);1H |
| InChI Key | VOLWNOLNZSHCIM-UHFFFAOYSA-N |
| MDL Number | MFCD03788277 |
| Molecular Formula | C9H13ClN6O2 |
| Molecular Weight | 272.6915 |
| SMILES | Cl.CC1=C(NC(=N)NC(N)=N)C=C(C=C1)[N+]([O-])=O |
| Synonyms | 1-(2-Methyl-5-nitrophenyl)biguanide hydrochloride,
1170909-72-4,
1-(diaminomethylidene)-2-(2-methyl-5-nitrophenyl)guanidine hydrochloride,
1-carbamimidamido-N-(2-methyl-5-nitrophenyl)methanimidamide hydrochloride,
Imidodicarbonimidic diamide, N-(2-methyl-5-nitrophenyl)-, hydrochloride (1:1),
CID2737501,
1-(diaminomethylidene)-2-(2-methyl-5-nitro-phenyl)guanidine Hydrochloride,
AC1MC7EL,
CTK5I2812,
CTK8F2681,
ZX-AT005800,
MFCD03788277,
OR7932,
PS-10398,
1-(2-Methyl-5-nitrophenyl)biguanide, HCl,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.693g/mol |
| Monoisotopic Mass | 272.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number