Home Other Building Blocks tert-butyl N-[2-(1H-1,2,3-triazol-4-yl)ethyl]carbamate

tert-butyl N-[2-(1H-1,2,3-triazol-4-yl)ethyl]carbamate

CAS No.:
2138550-00-0
Catalog Number:
AG01EIOH
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
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Product Description
Catalog Number:
AG01EIOH
Chemical Name:
tert-butyl N-[2-(1H-1,2,3-triazol-4-yl)ethyl]carbamate
CAS Number:
2138550-00-0
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
MDL Number:
MFCD31559441
IUPAC Name:
tert-butyl N-[2-(2H-triazol-4-yl)ethyl]carbamate
InChI:
InChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)10-5-4-7-6-11-13-12-7/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13)
InChI Key:
SGGIGUOZCHNGIW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1nn[nH]c1
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.253g/mol
Monoisotopic Mass:
212.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties