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147676-25-3 | 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CAS No: 147676-25-3 Catalog No: AG01F5FE MDL No:MFCD00963710
Product Description
Catalog Number:
AG01F5FE
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CAS Number:
147676-25-3
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
MDL Number:
MFCD00963710
IUPAC Name:
2-(benzotriazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C16H16N4/c1-2-6-14-11-19(10-9-13(14)5-1)12-20-16-8-4-3-7-15(16)17-18-20/h1-8H,9-12H2
InChI Key:
UCINTAQDYVPEOJ-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CCN(C2)Cn1nnc2c1cccc2
NSC Number:
41178
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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