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129410-28-2 | Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(butyl)amine
CAS No: 129410-28-2 Catalog No: AG01F98K MDL No:
Product Description
Catalog Number:
AG01F98K
Chemical Name:
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(butyl)amine
CAS Number:
129410-28-2
Molecular Formula:
C18H21N7
Molecular Weight:
335.4062
IUPAC Name:
N,N-bis(benzotriazol-1-ylmethyl)butan-1-amine
InChI:
InChI=1S/C18H21N7/c1-2-3-12-23(13-24-17-10-6-4-8-15(17)19-21-24)14-25-18-11-7-5-9-16(18)20-22-25/h4-11H,2-3,12-14H2,1H3
InChI Key:
BZEMNWGOERTXSJ-UHFFFAOYSA-N
SMILES:
CCCCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.186g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.415g/mol
Monoisotopic Mass:
335.186g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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