Home Other Building Blocks tert-butyl N-({1-[3-(hydroxymethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate

tert-butyl N-({1-[3-(hydroxymethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate

CAS No.:
2059948-51-3
Catalog Number:
AG01BRMB
Molecular Formula:
C15H20N4O3
Molecular Weight:
304.3443
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Product Description
Catalog Number:
AG01BRMB
Chemical Name:
tert-butyl N-({1-[3-(hydroxymethyl)phenyl]-1H-1,2,3-triazol-4-yl}methyl)carbamate
CAS Number:
2059948-51-3
Molecular Formula:
C15H20N4O3
Molecular Weight:
304.3443
MDL Number:
MFCD30535804
IUPAC Name:
tert-butyl N-[[1-[3-(hydroxymethyl)phenyl]triazol-4-yl]methyl]carbamate
InChI:
InChI=1S/C15H20N4O3/c1-15(2,3)22-14(21)16-8-12-9-19(18-17-12)13-6-4-5-11(7-13)10-20/h4-7,9,20H,8,10H2,1-3H3,(H,16,21)
InChI Key:
BWYCMBLWKFYKKS-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)n1nnc(c1)CNC(=O)OC(C)(C)C
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.154g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.35g/mol
Monoisotopic Mass:
304.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties