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

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

CAS No.:
1443981-13-2
Catalog Number:
AG01A4LM
Molecular Formula:
C7H12N4O2
Molecular Weight:
184.1958
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Product Description
Catalog Number:
AG01A4LM
Chemical Name:
tert-butyl N-(1H-1,2,3-triazol-4-yl)carbamate
CAS Number:
1443981-13-2
Molecular Formula:
C7H12N4O2
Molecular Weight:
184.1958
MDL Number:
MFCD24842764
IUPAC Name:
tert-butyl N-(2H-triazol-4-yl)carbamate
InChI:
InChI=1S/C7H12N4O2/c1-7(2,3)13-6(12)9-5-4-8-11-10-5/h4H,1-3H3,(H2,8,9,10,11,12)
InChI Key:
UUUQDHUJWVLANT-UHFFFAOYSA-N
SMILES:
O=C(Nc1nn[nH]c1)OC(C)(C)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.096g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.199g/mol
Monoisotopic Mass:
184.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties