Amprolium hydrochloride

Catalog	DGS137882
CAS	137-88-2
Structure
Synonyms	1-([4-Amino-2-propyl-5-pyrimidinyl]methyl)-2-methylpyridinium chloride
IUPAC Name	5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine;chloride;hydrochloride
Molecular Weight	315.24
Molecular Formula	C14H20Cl2N4
InChI	InChI=1S/C14H19N4.2ClH/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2;;/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17);2*1H/q+1;;/p-1
InChI Key	PJBQYZZKGNOKNJ-UHFFFAOYSA-M
Melting Point	239-243 °C
Purity	≥98%
Appearance	Neat
Complexity	246
EC Number	205-307-5
Exact Mass	314.1065020
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.Cl.[Cl-]
MDL Number	MFCD00078831
Monoisotopic Mass	314.1065020
Rotatable Bond Count	4
Topological Polar Surface Area	55.7 Ų