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158553-44-7 | Benzenamine, 4-[2-[2-(1-piperidinyl)ethyl]-2H-tetrazol-5-yl]-
CAS No: 158553-44-7 Catalog No: AG001QAA MDL No:
Product Description
Catalog Number:
AG001QAA
Chemical Name:
Benzenamine, 4-[2-[2-(1-piperidinyl)ethyl]-2H-tetrazol-5-yl]-
CAS Number:
158553-44-7
Molecular Formula:
C14H20N6
Molecular Weight:
272.3488
IUPAC Name:
4-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]aniline
InChI:
InChI=1S/C14H20N6/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19/h4-7H,1-3,8-11,15H2
InChI Key:
BYSXQUWRZJLWPH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nnn(n1)CCN1CCCCC1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.175g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.356g/mol
Monoisotopic Mass:
272.175g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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