1131605-15-6
1-(2-METHYL-5-NITROPHENYL)BIGUANIDE HYDROCHLORIDE
Name1-(2-METHYL-5-NITROPHENYL)BIGUANIDE HYDROCHLORIDE
FormulaC9 H12 N6 O2 . Cl H
1Identification
【Name】
1-(2-METHYL-5-NITROPHENYL)BIGUANIDE HYDROCHLORIDE
【CAS】
【MDL】
MFCD03788277
【English Synonyms】
【Formula】
C9 H12 N6 O2 . Cl H
【MolWeight】
272.695
【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
【InChIKey】
InChIKey=VOLWNOLNZSHCIM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=N)NC(=N)N)[N+](=O)[O-].Cl
【MOL File】
1-(2-METHYL-5-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:8
XLogP3:-8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-METHYL-5-NITROPHENYL)BIGUANIDE HYDROCHLORIDE.cml