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144447-03-0 | 1H-1,2,3-Triazole, 5-methyl-1-(1,1,3,3-tetramethylbutyl)-
CAS No: 144447-03-0 Catalog No: AG001JJV MDL No:
Product Description
Catalog Number:
AG001JJV
Chemical Name:
1H-1,2,3-Triazole, 5-methyl-1-(1,1,3,3-tetramethylbutyl)-
CAS Number:
144447-03-0
Molecular Formula:
C11H21N3
Molecular Weight:
195.3045
IUPAC Name:
5-methyl-1-(2,4,4-trimethylpentan-2-yl)triazole
InChI:
InChI=1S/C11H21N3/c1-9-7-12-13-14(9)11(5,6)8-10(2,3)4/h7H,8H2,1-6H3
InChI Key:
JNWYMRGLYCCZEG-UHFFFAOYSA-N
SMILES:
Cc1cnnn1C(CC(C)(C)C)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.174g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.31g/mol
Monoisotopic Mass:
195.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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