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3-Isopropoxypropylamine - ≥98.0%(GC), high purity , CAS No.2906-12-9
Basic Description
Synonyms
IPOPA | 2,2-dichloro-1-(3-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethanone | NSC167733 | 3-(propan-2-yloxy)propan-1-amine | 2VVA4JE6CL | 3-Isopropoxy-1-propylamine | 3-Isopropoxypropylamine, >=98% | EINECS 220-816-2 | 3-(1-Methylethoxy)-1-propanamine |
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Product Description
3-Isopropoxypropylamine is an aliphatic primary amine.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Dialkyl ethers
Alternative Parents
Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
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
488185223
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185223
IUPAC Name
3-propan-2-yloxypropan-1-amine
INCHI
InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3
InChIKey
VHYUNSUGCNKWSO-UHFFFAOYSA-N
Smiles
CC(C)OCCCN
Isomeric SMILES
CC(C)OCCCN
Molecular Weight
117.19
Reaxy-Rn
878152
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878152&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive
Refractive Index
1.42
Flash Point(°F)
102.2℉
Flash Point(°C)
39°C(lit.)
Boil Point(°C)
78-79°C/85mmHg
Molecular Weight
117.190 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
117.115 Da
Monoisotopic Mass
117.115 Da
Topological Polar Surface Area
35.300 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
45.800
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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