4-Aco-Met hemifumarate

CAT: 0926-VHC75140-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-VHC75140-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1445751-40-5

Smiles

CCN (C) CCC1=CNC2=C1C (=CC=C2) OC (=O) C

Molecular Formula

C15H20N2O2

Molecular Weight

260.33 g/mol

Controlled

Yes

Chemical Information

4-Acetoxyethylmethyltryptamine

CAS Number	1445751-40-5
PubChem CID	71308138
IUPAC Name	[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-4-yl] acetate
Molecular Formula	C15H20N2O2
Molecular Weight	260.33
XLogP	2.5
Topological Polar Surface Area	45.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	309

SMILES

CCN(C)CCC1=CNC2=C1C(=CC=C2)OC(=O)C

InChI

InChI=1S/C15H20N2O2/c1-4-17(3)9-8-12-10-16-13-6-5-7-14(15(12)13)19-11(2)18/h5-7,10,16H,4,8-9H2,1-3H3

InChIKey

OMDKHOOGGJRLLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1445751-40-5

CID: 71308138

Formula: C15H20N2O2

MW: 260.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.33
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	260.152477885
Monoisotopic Mass	260.152477885
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	309
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	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1063662	N- (Dicyclopropylmethyl) -4,5-dihydrooxazol-2-amine hemifumarate
M265195	1-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-2-[(1-methylethyl)amino]-1-methylethanol Hemifumarate (Bisoprolol Hemifumarate Impurity)
TRC-H802150-500MG	4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzaldehyde Hemifumarate
292205-01	2-[2- (4-Dibenzo[b, f][1,4]thiazepin-11-yl-1-piperazinyl) ethoxy]etanol hemifumarate
sc-491495	1-[4-[[2- (1-Methylethoxy) ethoxy]methyl]phenoxy]-2-[ (1-methylethyl) amino]-1-methylethanol Hemifumarate
TRC-H246910-100MG	5-[1-Hydroxy-2-[[2-(4-hydroxy-3-methylphenyl)-1-methylethyl]amino]ethyl]-1,3-benzenediol Hemifumarate
TRC-A190275-50MG	4-AcO-MET Fumarate
TRC-A191270-10MG	4-AcO-DET
TRC-A190270-5MG	4-AcO-DET Fumarate
GTR19264244-01	4-AcO-DALT hydrochloride