1-Boc-1-methylhydrazine - ≥97%(GC)(T) , CAS No.21075-83-2

CAS: 21075-83-2 Cat. No.: B138472 Molecular Weight: 146.19 EC Number: 629-342-4

GRADE & PURITY ≥97%(GC)(T)

Synonyms

2-Methyl-2-propanyl 1-methylhydrazinecarboxylate | Hydrazinecarboxylic acid, 1-methyl-, 1,1-dimethylethyl ester | N'-Boc-N'-Methyl Hydrazine | t-butyl 2-methylcarbazate | 1-tert-Butoxycarbonyl-1-methylhydrazine | n-tert-butoxycarbonyl-n-methylhydrazine |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-Methyl-2-propanyl 1-methylhydrazinecarboxylate | Hydrazinecarboxylic acid, 1-methyl-, 1, 1-dimethylethyl ester | N'-Boc-N'-Methyl Hydrazine | t-butyl 2-methylcarbazate | 1-tert-Butoxycarbonyl-1-methylhydrazine | n-tert-butoxycarbonyl-n-methylhydrazine |

Specifications & Purity

≥97%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)(T)

Names and Identifiers

• Pubchem Sid: 508807300
• Canonical Smiles: CC(C)(C)OC(=O)N(C)N
• IUPAC Name: tert-butyl N-amino-N-methylcarbamate
• InChIKey: IHMQNZFRFVYNDS-UHFFFAOYSA-N
• INCHI: 1S/C6H14N2O2/c1-6(2,3)10-5(9)8(4)7/h7H2,1-4H3
• Isomeric SMILES: CC(C)(C)OC(=O)N(C)N
• WGK Germany: 3
• Molecular Weight: 146.19
• Reaxy-Rn: 2431123
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2431123&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organonitrogen compounds
• Alternative Parents: Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.44
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71 °C
• Boil Point(°C): 80 °C/20 mmHg
• Molecular Weight: 146.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 146.106 Da
• Monoisotopic Mass: 146.106 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• 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