Amprolium HCl 1g

CAT: 0628-A16410-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A16410-1000Size:1000 mg

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CAS Number

137-88-2

Chemical Information

Amprolium Hydrochloride

See also: Amprolium (broader).

CAS Number	137-88-2
PubChem CID	8732
IUPAC Name	5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine;chloride;hydrochloride
Molecular Formula	C14H20Cl2N4
Molecular Weight	315.2
Topological Polar Surface Area	55.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	246

SMILES

CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C.Cl.[Cl-]

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

InChIKey

PJBQYZZKGNOKNJ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 137-88-2

CID: 8732

Formula: C14H20Cl2N4

MW: 315.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	314.1065020
Monoisotopic Mass	314.1065020
Topological Polar Surface Area	55.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes