Tert-butyl 4-(2-aminoethyl)-1H-imidazole-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(2-aminoethyl)-1H-imidazole-1-carboxylate
• CAS No.: 186700-06-1
• Molecular Formula: C10H17 N3 O2
• Molecular Weight: 211.26
• DSSTox Substance ID: DTXSID00692944
• Wikidata: Q82621976
• Mol file: 186700-06-1.mol

Synonyms:186700-06-1;TERT-BUTYL 4-(2-AMINOETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE;tert-butyl 4-(2-aminoethyl)imidazole-1-carboxylate;N-Boc Histamine;1H-Imidazole-1-carboxylicacid, 4-(2-aminoethyl)-, 1,1-dimethylethyl ester;DTXSID00692944;4-(2-AMINO-ETHYL)-IMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;AKOS015911380;AB28553;FT-0663517;EN300-1878583;A813076;J-012000;4-(2-aminoethyl)-1-imidazolecarboxylic acid tert-butyl ester;4-(2-aminoethyl)imidazole-1-carboxylic acid tert-butyl ester;TERT-BUTYL4-(2-AMINOETHYL)-1H-IMIDAZOLE-1-CARBOXYLATE;1H-Imidazole-1-carboxylicacid,4-(2-aminoethyl)-,1,1-dimethylethyl ester

Chemical Property of Tert-butyl 4-(2-aminoethyl)-1H-imidazole-1-carboxylate

Chemical Property:

• Boiling Point: 334.9±34.0 °C(Predicted)
• PKA: 9.08±0.10(Predicted)
• PSA: 70.14000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 1.86780
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 211.132076794
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

N-Boc histamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=C(N=C1)CCN
• Uses: N-Boc Histamine is used in the preparation of quinolinone derivatives as HIV inhibitors useful in the treatment of HIV-1 infection.