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N-Propyl-1,3-propanediamine - 99%, high purity , CAS No.23764-31-0
Basic Description
Synonyms
n-propylpropylylenediamine | GEO-02171 | DTXSID8066929 | Ethanone,1-(10,11-dihydro-3-nitro-5H-dibenz[b,f]azepin-5-yl)- | MFCD00008212 | 3-(n-Propylamino)propylamine | N'-propylpropane-1,3-diamine | N-propyl-propane-1,3-diamine | N-Propylpropane-1,3-diamin
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Product Application:
N-Propyl-1,3-propanediamine was used in the synthesis of 1-benzotriazolylmethyl-3-propylhexahydropyrimidine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Secondary amines
Direct Parent
Dialkylamines
Alternative Parents
Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
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
Pubchem Sid
504756020
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756020
IUPAC Name
N'-propylpropane-1,3-diamine
INCHI
InChI=1S/C6H16N2/c1-2-5-8-6-3-4-7/h8H,2-7H2,1H3
InChIKey
OWKYZAGJTTTXOK-UHFFFAOYSA-N
Smiles
CCCNCCCN
Isomeric SMILES
CCCNCCCN
WGK Germany
3
Molecular Weight
116.2
Reaxy-Rn
1732999
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732999&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
n20/D 1.4451 (lit.)
Flash Point(°F)
129.2 °F
Flash Point(°C)
54 °C
Boil Point(°C)
169 °C (lit.)
Molecular Weight
116.200 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
116.131 Da
Monoisotopic Mass
116.131 Da
Topological Polar Surface Area
38.100 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
37.500
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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B2315212