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111184-78-2 | Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(ethyl)amine
CAS No: 111184-78-2 Catalog No: AG01F967 MDL No:MFCD00398119
Product Description
Catalog Number:
AG01F967
Chemical Name:
Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(ethyl)amine
CAS Number:
111184-78-2
Molecular Formula:
C16H17N7
Molecular Weight:
307.3531
MDL Number:
MFCD00398119
IUPAC Name:
N,N-bis(benzotriazol-1-ylmethyl)ethanamine
InChI:
InChI=1S/C16H17N7/c1-2-21(11-22-15-9-5-3-7-13(15)17-19-22)12-23-16-10-6-4-8-14(16)18-20-23/h3-10H,2,11-12H2,1H3
InChI Key:
XJIGWGCVPDLMEN-UHFFFAOYSA-N
SMILES:
CCN(Cn1nnc2c1cccc2)Cn1nnc2c1cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.155g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.361g/mol
Monoisotopic Mass:
307.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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