Isopropyl-d7-amine hydrochloride , CAS No.106658-09-7

CAS: 106658-09-7 Cat. No.: I340244 Molecular Weight: 66.15 EC Number: 693-366-1

Synonyms

Isopropyl-d7-amine Hydrochloride | AKOS015910314 | Isopropyl-d7-amine, 98 atom % D, 98% (CP) | 2-Propan-1,1,1,2,3,3,3-d7-amine,hydrochloride(9ci) | Isopropyl-d7-amine | (?H?)propan-2-amine | D98367 | 1,1,1,2,3,3,3-heptadeuteriopropan-2-amine | DTXSID30480

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Isopropyl-d7-amine Hydrochloride | AKOS015910314 | Isopropyl-d7-amine, 98 atom % D, 98% (CP) | 2-Propan-1, 1, 1, 2, 3, 3, 3-d7-amine, hydrochloride(9ci) | Isopropyl-d7-amine | (?H?)propan-2-amine | D98367 | 1, 1, 1, 2, 3, 3, 3-heptadeuteriopropan-2-amine | DTXSID30480

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)N
• IUPAC Name: 1,1,1,2,3,3,3-heptadeuteriopropan-2-amine
• InChIKey: JJWLVOIRVHMVIS-YYWVXINBSA-N
• INCHI: 1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3/i1D3,2D3,3D
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N
• Molecular Weight: 66.15
• Reaxy-Rn: 605259
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605259&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 66.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 66.1174 Da
• Monoisotopic Mass: 66.1174 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 10.800
• Isotope Atom Count: 7
• 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