2- (Ethylamino) -1-phenylhexan-1-one, hydrochloride

CAT: 0926-TAA41062-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA41062-01Size:5 mg

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CAS Number

18410-62-3

MDL Number

MFCD30718314

Smiles

CCCCC (C (=O) C1=CC=CC=C1) NCC.Cl

Molecular Formula

C14H22ClNO

Molecular Weight

255.78 g/mol

Controlled

Yes

Chemical Information

N-Ethylhexedrone hydrochloride

CAS Number	18410-62-3
PubChem CID	137699916
IUPAC Name	2-(ethylamino)-1-phenylhexan-1-one;hydrochloride
Molecular Formula	C14H22ClNO
Molecular Weight	255.78
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	197

SMILES

CCCCC(C(=O)C1=CC=CC=C1)NCC.Cl

InChI

InChI=1S/C14H21NO.ClH/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12;/h6-10,13,15H,3-5,11H2,1-2H3;1H

InChIKey

QKEXBCQZZPXSGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18410-62-3

CID: 137699916

Formula: C14H22ClNO

MW: 255.78

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.78
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	255.1389920
Monoisotopic Mass	255.1389920
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	197
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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