tert-Butylamine(TBA) - Distillation grade, ≥99.5% , CAS No.75-64-9

CAS: 75-64-9 Cat. No.: B103869 Molecular Weight: 73.14 Beilstein Registry Number: 605267 EC Number: 200-888-1

GRADE & PURITY Distillation grade, ≥99.5%

Synonyms

AKOS000269018 | HSDB 5209 | InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H | C4H11N | 2-methyl-2-propaneamine | D87618 | 91Z53KF68U | Butylamine, tert | Butylamine, tert- | Erbumine | t-Butylamine | t-butyl-amine | t-butylamine- | CHEBI:44639 | NSC9571 | Erbumine [I

Storage

Room temperature,Cool

Shipped In

FedEx DG Service

Specifications

Synonyms

AKOS000269018 | HSDB 5209 | InChI=1/C4H11N/c1-4(2, 3)5/h5H2, 1-3H | C4H11N | 2-methyl-2-propaneamine | D87618 | 91Z53KF68U | Butylamine, tert | Butylamine, tert- | Erbumine | t-Butylamine | t-butyl-amine | t-butylamine- | CHEBI:44639 | NSC9571 | Erbumine [I

Specifications & Purity

Distillation grade, ≥99.5%

Storage

Room temperature, Cool

Shipped In

FedEx DG Service

Grade

Distillation grade

Purity

≥99.5%

Names and Identifiers

• Pubchem Sid: 504751080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751080
• Canonical Smiles: CC(C)(C)N
• IUPAC Name: 2-methylpropan-2-amine
• InChIKey: YBRBMKDOPFTVDT-UHFFFAOYSA-N
• INCHI: 1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
• Isomeric SMILES: CC(C)(C)N
• WGK Germany: 1
• RTECS: EO3330000
• UN Number: 2735
• Packing Group: I
• Molecular Weight: 73.14
• Beilstein: 605267
• Reaxy-Rn: 605267
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605267&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: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - 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: primary aliphatic amine

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

Mechanisms of Action

Chemical and Physical Properties

• Freezing Point(°C): -73 °C
• Refractive Index: 1.377
• Flash Point(°F): -36.4 °F
• Flash Point(°C): -38℃
• Boil Point(°C): 44-46°C
• Melt Point(°C): -67°C
• Molecular Weight: 73.140 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 73.0891 Da
• Monoisotopic Mass: 73.0891 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.100
• 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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