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121238-82-2 | Tris(1H-1,2,3-benzotriazol-1-ylmethyl)amine
CAS No: 121238-82-2 Catalog No: AG01FAUV MDL No:
Product Description
Catalog Number:
AG01FAUV
Chemical Name:
Tris(1H-1,2,3-benzotriazol-1-ylmethyl)amine
CAS Number:
121238-82-2
Molecular Formula:
C21H18N10
Molecular Weight:
410.4346
IUPAC Name:
1-(benzotriazol-1-yl)-N,N-bis(benzotriazol-1-ylmethyl)methanamine
InChI:
InChI=1S/C21H18N10/c1-4-10-19-16(7-1)22-25-29(19)13-28(14-30-20-11-5-2-8-17(20)23-26-30)15-31-21-12-6-3-9-18(21)24-27-31/h1-12H,13-15H2
InChI Key:
CGTJPXSHORTCPU-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n(nn2)CN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.172g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.445g/mol
Monoisotopic Mass:
410.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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