1- (2-Bromoallyl) azepane

CAT: 0127-OR1065152-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1065152-01Size:250 mg

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CAS Number

656797-88-5

MDL Number

MFCD18915044

Purity

95% mix TBC as stabilizer

Smiles

BrC(CN1CCCCCC1)=C

Chemical Information

2-Bromo-3-(homopiperidinyl)prop-1-ene

CAS Number	656797-88-5
PubChem CID	20624659
IUPAC Name	1-(2-bromoprop-2-enyl)azepane
Molecular Formula	C9H16BrN
Molecular Weight	218.13
XLogP	2.6
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	126

SMILES

C=C(CN1CCCCCC1)Br

InChI

InChI=1S/C9H16BrN/c1-9(10)8-11-6-4-2-3-5-7-11/h1-8H2

InChIKey

AXIWYDKNWICISY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 656797-88-5

CID: 20624659

Formula: C9H16BrN

MW: 218.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.13
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	217.04661
Monoisotopic Mass	217.04661
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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PC2371	4- (2-Bromoallyl) -1,2-difluorobenzene
OR01927	4- (2-Bromoallyl) toluene
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OR906041	2- (1-Piperidinylmethyl) azepane
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