Adrenalone HCl 500mg

CAT: 0628-A11807-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A11807-500Size:500 mg

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CAS Number

62-13-5

Chemical Information

Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)

CAS Number	62-13-5
PubChem CID	66136
IUPAC Name	1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
Molecular Formula	C9H12ClNO3
Molecular Weight	217.65
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	184

SMILES

CNCC(=O)C1=CC(=C(C=C1)O)O.Cl

InChI

InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H

InChIKey

CSRRBDMYOUQTCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62-13-5

CID: 66136

Formula: C9H12ClNO3

MW: 217.65

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	217.65
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	217.0505709
Monoisotopic Mass	217.0505709
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	184
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