Dipentylone hydrochloride

CAT: 0926-SAA76313-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA76313-01Size:25 mg

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CAS Number

17763-13-2

MDL Number

MFCD30718354

Smiles

CCCC (C (=O) C1=CC2=C (C=C1) OCO2) N (C) C.Cl

Molecular Formula

C14H20ClNO3

Molecular Weight

285.76 g/mol

Controlled

Yes

Chemical Information

Dipentylone hydrochloride

CAS Number	17763-13-2
PubChem CID	119057569
IUPAC Name	1-(1,3-benzodioxol-5-yl)-2-(dimethylamino)pentan-1-one;hydrochloride
Molecular Formula	C14H20ClNO3
Molecular Weight	285.76
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	293

SMILES

CCCC(C(=O)C1=CC2=C(C=C1)OCO2)N(C)C.Cl

InChI

InChI=1S/C14H19NO3.ClH/c1-4-5-11(15(2)3)14(16)10-6-7-12-13(8-10)18-9-17-12;/h6-8,11H,4-5,9H2,1-3H3;1H

InChIKey

LSDMAZIZKMMYTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17763-13-2

CID: 119057569

Formula: C14H20ClNO3

MW: 285.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.76
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	285.1131712
Monoisotopic Mass	285.1131712
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	293
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	2
Compound Is Canonicalized	Yes

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