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111184-82-8 | Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(octyl)amine
CAS No: 111184-82-8 Catalog No: AG01F968 MDL No:
Product Description
Catalog Number:
AG01F968
Chemical Name:
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(octyl)amine
CAS Number:
111184-82-8
Molecular Formula:
C22H29N7
Molecular Weight:
391.5126
IUPAC Name:
N,N-bis(benzotriazol-1-ylmethyl)octan-1-amine
InChI:
InChI=1S/C22H29N7/c1-2-3-4-5-6-11-16-27(17-28-21-14-9-7-12-19(21)23-25-28)18-29-22-15-10-8-13-20(22)24-26-29/h7-10,12-15H,2-6,11,16-18H2,1H3
InChI Key:
JECHVCHGXWNCIZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.248g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.523g/mol
Monoisotopic Mass:
391.248g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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