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111184-79-3 | Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine
CAS No: 111184-79-3 Catalog No: AG01F8XM MDL No:MFCD00957687
Product Description
Catalog Number:
AG01F8XM
Chemical Name:
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(propyl)amine
CAS Number:
111184-79-3
Molecular Formula:
C17H19N7
Molecular Weight:
321.3797
MDL Number:
MFCD00957687
IUPAC Name:
N,N-bis(benzotriazol-1-ylmethyl)propan-1-amine
InChI:
InChI=1S/C17H19N7/c1-2-11-22(12-23-16-9-5-3-7-14(16)18-20-23)13-24-17-10-6-4-8-15(17)19-21-24/h3-10H,2,11-13H2,1H3
InChI Key:
PNRXINXFDMOFCG-UHFFFAOYSA-N
SMILES:
CCCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.17g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.388g/mol
Monoisotopic Mass:
321.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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