Antimicrobial Compound 1 200mg

CAT: 0628-A20189-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A20189-200Size:200 mg

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CAS Number

15237-83-9

Chemical Information

4-Carboxy-1-dodecylpyridin-1-ium bromide

CAS Number	15237-83-9
PubChem CID	71354163
IUPAC Name	1-dodecylpyridin-1-ium-4-carboxylic acid bromide
Molecular Formula	C18H30BrNO2
Molecular Weight	372.3
Topological Polar Surface Area	41.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	22
Formal Charge	0
Complexity	260

SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)O.[Br-]

InChI

InChI=1S/C18H29NO2.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-19-15-12-17(13-16-19)18(20)21;/h12-13,15-16H,2-11,14H2,1H3;1H

InChIKey

RLYQSPYNMCUCAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15237-83-9

CID: 71354163

Formula: C18H30BrNO2

MW: 372.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	371.14599
Monoisotopic Mass	371.14599
Topological Polar Surface Area	41.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	260
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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A20189-100	Antimicrobial Compound 1 100mg
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A20189-50	Antimicrobial Compound 1 50mg
A20189-10	Antimicrobial Compound 1 10mg
A20189-5	Antimicrobial Compound 1 5mg
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