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3-(1-Azepanyl)-1-propanamine - 95%, high purity , CAS No.3437-33-0
Basic Description
Synonyms
3437-33-0 | 3-(azepan-1-yl)propan-1-amine | 3-(1-azepanyl)-1-propanamine | 1-(3-amino-propyl)-homopiperidine | 3-Azepan-1-yl-propylamine | (3-azepan-1-ylpropyl)amine | 3-azepan-1-ylpropan-1-amine | MFCD00020990 | 1-(3-AMINOPROPYL)AZACYCLOHEPTANE | 3-Azepan-1-ylpropylamine |
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepanes
Alternative Parents
Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Azepane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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
Data sources
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.
Names and Identifiers
IUPAC Name
3-(azepan-1-yl)propan-1-amine
INCHI
InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
InChIKey
FXTRRLIESPAUHT-UHFFFAOYSA-N
Smiles
C1CCCN(CC1)CCCN
Isomeric SMILES
C1CCCN(CC1)CCCN
Molecular Weight
156.3
Reaxy-Rn
104915
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104915&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.270 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
156.163 Da
Monoisotopic Mass
156.163 Da
Topological Polar Surface Area
29.300 Ų
Heavy Atom Count
11
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
1
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