DL-Adrenaline 100mg

CAT: 0628-A11668-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11668-100Size:100 mg

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CAS Number

329-65-7

Chemical Information

(+-)-Adrenaline

Adrenaline is a racemate comprising equimolar amounts of (R)-adrenaline and (S)-adrenaline. It has a role as a human metabolite. It contains a (R)-adrenaline and a (S)-adrenaline.

CAS Number	329-65-7
PubChem CID	838
IUPAC Name	4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular Formula	C9H13NO3
Molecular Weight	183.20
XLogP	-1.4
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	154

SMILES

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

InChI

InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3

InChIKey

UCTWMZQNUQWSLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 329-65-7

CID: 838

Formula: C9H13NO3

MW: 183.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	183.20
XLogP3	-1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	183.08954328
Monoisotopic Mass	183.08954328
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DL-Adrenaline 100mg

Chemical Information

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