Methoxy Adrenaline

CAT: 1596-AR-E01521-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E01521-02Size:25 Units

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CAS Number

2947-02-6

Synonyms

4-[1-Methoxy-2- (methylamino) ethyl]-1,2-benzenediol; 4-[1-Methoxy-2- (methylamino) ethyl]pyrocatechol

Molecular Formula

C10H15NO3

Molecular Weight

197.24

API Name

Epinephrine

Chemical Information

4-(1-Methoxy-2-(methylamino)ethyl)-1,2-benzenediol

CAS Number	2947-02-6
PubChem CID	412350
IUPAC Name	4-[1-methoxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular Formula	C10H15NO3
Molecular Weight	197.23
XLogP	-0.8
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

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

InChI

InChI=1S/C10H15NO3/c1-11-6-10(14-2)7-3-4-8(12)9(13)5-7/h3-5,10-13H,6H2,1-2H3

InChIKey

VEBWYSFGJOBXNO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2947-02-6

CID: 412350

Formula: C10H15NO3

MW: 197.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.23
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	197.10519334
Monoisotopic Mass	197.10519334
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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

Catalog	Name
TRC-M260875-250MG	Methoxy Adrenaline Hydrochloride
HY-W587403-01	Methoxy adrenaline (hydrochloride)
TRC-M260877-25MG	Methoxy-d3 Adrenaline Hydrochloride
CS-P-07846	Adrenaline Related Compound 1 (4-hydroxy-3-methoxy-phenylglycolic acid-d3, VMA-d3)
B1326-1000	DL-Adrenaline
A0906	Adrenaline, Conjugated
C08637-01	L-Adrenaline
MBS6461763-01	Adrenaline (Biotin)
MBS5811703	Adrenaline sulfate
GWB-286585	Adrenaline ELISA