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3-(Azepan-1-yl)propan-1-amine dihydrochloride - ≥97%, high purity , CAS No.118979-65-0

COA

Grade & Purity:

≥97%

Cas Number: 118979-65-0
Molecular Weight: 229.19
PubChem CID: 24320917

In stock

Item Number

P736039

Grouped product items
SKU	Size	Availability	Price
P736039-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$92.90
P736039-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90
P736039-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$421.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azepanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Azepanes
Alternative Parents	Trialkylamines Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Azepane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	3-(azepan-1-yl)propan-1-amine;dihydrochloride
INCHI	InChI=1S/C9H20N2.2ClH/c10-6-5-9-11-7-3-1-2-4-8-11;;/h1-10H2;2*1H
InChIKey	MNSZZQJHMPGHDK-UHFFFAOYSA-N
Smiles	C1CCCN(CC1)CCCN.Cl.Cl
Isomeric SMILES	C1CCCN(CC1)CCCN.Cl.Cl
PubChem CID	24320917
Molecular Weight	229.19

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.190 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	228.116 Da
Monoisotopic Mass	228.116 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	85.600
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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