4-PHENYL-AZEPANE HCL

CAT: 0931-TD1414-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TD1414-01Size:5 mg

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CAS Number

73252-01-4

Bioactivity

4-PHENYL-AZEPANE HCL, with CAS No. 73252-01-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4-PHENYL-AZEPANE HCL provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

C1CNCCC(C1)c1ccccc1

Molecular Formula

C12H17N

Molecular Weight

175.2701

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-Phenylazepane

See also: 4-Phenylazepane hydrochloride (annotation moved to).

CAS Number	73252-01-4
PubChem CID	436210
IUPAC Name	4-phenylazepane
Molecular Formula	C12H17N
Molecular Weight	175.27
XLogP	2.4
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	138

SMILES

C1CC(CCNC1)C2=CC=CC=C2

InChI

InChI=1S/C12H17N/c1-2-5-11(6-3-1)12-7-4-9-13-10-8-12/h1-3,5-6,12-13H,4,7-10H2

InChIKey

AHKQOPMYYACTFC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73252-01-4

CID: 436210

Formula: C12H17N

MW: 175.27

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	175.27
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	175.136099547
Monoisotopic Mass	175.136099547
Topological Polar Surface Area	12 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	138
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	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
288001-01	4-Phenyl-azepane
GTR19256387-01	4-PHENYL-AZEPANE HCL
CWA67378-01	2-[4- (Trifluoromethyl) phenyl]azepane
sc-305536	2- (4-Methoxy-phenyl) -azepane
233488-01	4-Phenyl-azepane ≥95% (NMR)
sc-306272	2-[4- (tert-Butyl) phenyl]azepane
sc-345971A	3-[4- (Azepane-1-sulfonyl) -phenyl]-acrylic acid
sc-306163	2-[3- (Trifluoromethyl) phenyl]azepane
VSC80783-01	4- (Methylsulfanyl) azepane
OR302408	Azepane-4-carbonitrile

4-PHENYL-AZEPANE HCL

Chemical Information

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