tert-butyl N-(azetidin-3-ylmethyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(azetidin-3-ylmethyl)carbamate
• CAS No.: 91188-15-7
• Molecular Formula: C₉H₁₈N₂O₂
• Molecular Weight: 186.254
• Hs Code.: 2933998090
• European Community (EC) Number: 676-384-4
• DSSTox Substance ID: DTXSID60571807
• Wikidata: Q72448179
• Mol file: 91188-15-7.mol

Synonyms:91188-15-7;3-(n-boc-aminomethyl)azetidine;tert-butyl N-(azetidin-3-ylmethyl)carbamate;3-Boc-aminomethylazetidine;3-boc-aminomethyl-azetidine;tert-butyl (azetidin-3-ylmethyl)carbamate;tert-butyl azetidin-3-ylmethylcarbamate;Azetidin-3-ylmethyl-carbamic acid tert-butyl ester;MFCD01861760;3-(n-boc)aminomethylazetidine;tert-butyl [(azetidin-3-yl)methyl]carbamate;tert-butyl N-[(azetidin-3-yl)methyl]carbamate;azetidin-3-ylmethylcarbamic acid tert-butyl ester;CARBAMIC ACID, N-(3-AZETIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER;Carbamic acid, (3-azetidinylmethyl)-, 1,1-dimethylethyl ester;SCHEMBL1034818;DTXSID60571807;MOLUHRBHXXGWDP-UHFFFAOYSA-N;CS-B0427;STR08904;AKOS005258606;AC-2253;PB19947;tert-butyl(azetidin-3-ylmethyl)carbamate;SY018070;tert-butyl (azetidin-3-yl) methylcarbamate;AM20120314;tert-butyl-[(azetidin-3-yl)methyl]carbamate;3-(N-tert-butyloxycarbonylaminomethyl)azetidine;EN300-134435;3-(N-tert-butyloxycarbonylaminomethyl) azetidine;azetidine-3-ylmethyl-carbamic acid tert-butyl ester;J-519616;Q-103145;Q-103148;[(azetidin-3-yl)methyl]carbamic acid tert-butyl ester

Chemical Property of tert-butyl N-(azetidin-3-ylmethyl)carbamate

Chemical Property:

• Boiling Point: 285.5 °C at 760 mmHg
• PKA: 12.62±0.46(Predicted)
• Flash Point: 126.5 °C
• PSA: 50.36000
• Density: 1.018 g/cm³
• LogP: 1.45020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

3-Boc-aminomethylazetidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CNC1
• Uses: It is a useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties.