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

CAT: 0926-EAA55192-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA55192-01Size:5 mg

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CAS Number

4551-92-2

Smiles

CCNC1 (CCCCC1=O) C2=CC=CC=C2.Cl

Molecular Formula

C14H20ClNO

Molecular Weight

253.77 g/mol

Controlled

Yes

Chemical Information

Cyclohexanone, 2-(ethylamino)-2-phenyl-, hydrochloride (1:1)

CAS Number	4551-92-2
PubChem CID	132989541
IUPAC Name	2-(ethylamino)-2-phenylcyclohexan-1-one;hydrochloride
Molecular Formula	C14H20ClNO
Molecular Weight	253.77
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	245

SMILES

CCNC1(CCCCC1=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C14H19NO.ClH/c1-2-15-14(11-7-6-10-13(14)16)12-8-4-3-5-9-12;/h3-5,8-9,15H,2,6-7,10-11H2,1H3;1H

InChIKey

JWRSSLUSBSLMIT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4551-92-2

CID: 132989541

Formula: C14H20ClNO

MW: 253.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.77
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	253.1233420
Monoisotopic Mass	253.1233420
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	245
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

Catalog	Name
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