structure of tert-Butyl (3-aminocyclobutyl)carbamate

tert-Butyl (3-aminocyclobutyl)carbamate

CAS No.: 871014-19-6
M. Wt: 186.251
M. Fa: C9H18N2O2
InChI Key: OPDOEOOBYOABCJ-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of tert-Butyl (3-aminocyclobutyl)carbamate

CAS Number

871014-19-6

EC Number

823-439-7

MDL Number

MFCD09040641

IUPAC Name

tert-butyl N-(3-aminocyclobutyl)carbamate

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5,10H2,1-3H3,(H,11,12)

InChIKey

OPDOEOOBYOABCJ-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1CC(C1)N

UNSPSC Code

12352100

Physical and chemical properties of tert-Butyl (3-aminocyclobutyl)carbamate

Acidity coefficient

12.32±0.40(Predicted)

Boiling Point

285.8±29.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Exact Mass

186.136826

Flash Point

126.6±24.3 °C

Index of Refraction

1.491

LogP

0.65

Molecular Formula

C9H18N2O2

Molecular Weight

186.251

PSA

64.35000

Storage condition

Keep in dark place,Sealed in dry,Store in freezer, under -20°C

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of tert-Butyl (3-aminocyclobutyl)carbamate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of tert-Butyl (3-aminocyclobutyl)carbamate

tert-Butyl (3-aminocyclobutyl)carbamate has several potential applications:

  • Pharmaceutical Development: It serves as an intermediate in the synthesis of pharmaceutical compounds, particularly those targeting neurological disorders.
  • Chemical Research: Used as a reagent in organic synthesis, it aids in developing new chemical entities.
  • Biochemical Studies: Its structural features make it suitable for studies involving enzyme interactions and drug design.

Interaction Studies of tert-Butyl (3-aminocyclobutyl)carbamate

Interaction studies involving tert-butyl (3-aminocyclobutyl)carbamate focus on its binding affinity with various biological targets. Preliminary studies suggest that the compound may interact with neurotransmitter receptors or enzymes involved in metabolic pathways. Further research is necessary to elucidate its specific interactions and mechanisms of action within biological systems.

Physical sample testing spectrum (NMR) of tert-Butyl (3-aminocyclobutyl)carbamate

Physical sample testing spectrum (NMR) of tert-Butyl (3-aminocyclobutyl)carbamate

Retrosynthesis analysis of tert-Butyl (3-aminocyclobutyl)carbamate

  • Route#1

    Cas:154748-49-9
    Cas:871014-19-6

  • Route#2

    Cas:871014-18-5
    Cas:871014-19-6