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508192-32-3 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)octyl]pyridin-2-amine
CAS No: 508192-32-3 Catalog No: AG01F83H MDL No:MFCD00956399
Product Description
Catalog Number:
AG01F83H
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)octyl]pyridin-2-amine
CAS Number:
508192-32-3
Molecular Formula:
C19H25N5
Molecular Weight:
323.4353
MDL Number:
MFCD00956399
IUPAC Name:
N-[1-(benzotriazol-1-yl)octyl]pyridin-2-amine
InChI:
InChI=1S/C19H25N5/c1-2-3-4-5-6-14-19(21-18-13-9-10-15-20-18)24-17-12-8-7-11-16(17)22-23-24/h7-13,15,19H,2-6,14H2,1H3,(H,20,21)
InChI Key:
HTKMDRYNAQVWSF-UHFFFAOYSA-N
SMILES:
CCCCCCCC(n1nnc2c1cccc2)Nc1ccccn1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.211g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.444g/mol
Monoisotopic Mass:
323.211g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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