A-Butylaminohexanophenone hydrochloride

CAT: 0926-TAA29666-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-TAA29666-02Size:25 mg

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CAS Number

18296-66-7

Smiles

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

Molecular Formula

C16H26ClNO

Molecular Weight

283.83 g/mol

Controlled

Yes

Chemical Information

2-(Butylamino)-1-phenyl-1-hexanone, monohydrochloride

CAS Number	18296-66-7
PubChem CID	145916020
IUPAC Name	2-(butylamino)-1-phenylhexan-1-one;hydrochloride
Molecular Formula	C16H26ClNO
Molecular Weight	283.83
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	19
Formal Charge	0
Complexity	221

SMILES

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

InChI

InChI=1S/C16H25NO.ClH/c1-3-5-12-15(17-13-6-4-2)16(18)14-10-8-7-9-11-14;/h7-11,15,17H,3-6,12-13H2,1-2H3;1H

InChIKey

DFJWANUNVMDWGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18296-66-7

CID: 145916020

Formula: C16H26ClNO

MW: 283.83

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.83
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	283.1702921
Monoisotopic Mass	283.1702921
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	221
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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