2- (2-Phenylethenyl) azepane

CAT: 0926-JFC43376-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JFC43376-01Size:50 mg

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CAS Number

1384433-76-4

MDL Number

MFCD22196614

Smiles

C1CCC (NCC1) C=CC2=CC=CC=C2

Molecular Formula

C14H19N

Molecular Weight

201.31 g/mol

Controlled

Chemical Information

2-(2-Phenylethenyl)azepane

CAS Number	1384433-76-4
PubChem CID	121597254
IUPAC Name	2-(2-phenylethenyl)azepane
Molecular Formula	C14H19N
Molecular Weight	201.31
XLogP	3.2
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	192

SMILES

C1CCC(NCC1)C=CC2=CC=CC=C2

InChI

InChI=1S/C14H19N/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,10-11,14-15H,2,5-6,9,12H2

InChIKey

DGEGHBUXYDGKJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1384433-76-4

CID: 121597254

Formula: C14H19N

MW: 201.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.31
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	201.151749610
Monoisotopic Mass	201.151749610
Topological Polar Surface Area	12 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FDA05355-01	2- (2-Methylpropyl) azepane
IFA74539-01	2- (2-Methylphenyl) azepane
TCA84113-01	2-[ (2-Chlorophenyl) methyl]azepane
ELD46780-01	2-[ (E) -2-Phenylethenyl]pyrrolidine
IQA12907	2-Furan-2-yl-azepane
GKB04013-01	1- (2-Pyrrolidinylmethyl) azepane
RMC23620-01	3- (2-Methoxyethyl) azepane
TCA84123-01	2-[ (2-Methoxyphenyl) methyl]azepane
MBA63720-01	Azepane-2,5-dione
EBA52088-01	Azepane-2,4-dione