4-Acetoxy Mpt

CAT: 0926-YLD38655-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-YLD38655-02Size:1 g

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CAS Number

2173386-55-3

Smiles

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

Molecular Formula

C16H22N2O2

Molecular Weight

274.36 g/mol

Controlled

Yes

Chemical Information

4-Acetoxy-N-methyl-n-propyltryptamine

CAS Number	2173386-55-3
PubChem CID	140837843
IUPAC Name	[3-[2-[methyl(propyl)amino]ethyl]-1H-indol-4-yl] acetate
Molecular Formula	C16H22N2O2
Molecular Weight	274.36
XLogP	3
Topological Polar Surface Area	45.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	20
Formal Charge	0
Complexity	322

SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-4-9-18(3)10-8-13-11-17-14-6-5-7-15(16(13)14)20-12(2)19/h5-7,11,17H,4,8-10H2,1-3H3

InChIKey

CECCEKYTLKWWJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2173386-55-3

CID: 140837843

Formula: C16H22N2O2

MW: 274.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.36
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	274.168127949
Monoisotopic Mass	274.168127949
Topological Polar Surface Area	45.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	322
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

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