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1353966-36-5 | Benzooxazol-2-yl-piperidin-3-yl-amine hydrochloride
CAS No: 1353966-36-5 Catalog No: AG01F8RQ MDL No:
Product Description
Catalog Number:
AG01F8RQ
Chemical Name:
Benzooxazol-2-yl-piperidin-3-yl-amine hydrochloride
CAS Number:
1353966-36-5
Molecular Formula:
C12H16ClN3O
Molecular Weight:
253.7279
IUPAC Name:
N-piperidin-3-yl-1,3-benzoxazol-2-amine;hydrochloride
InChI:
InChI=1S/C12H15N3O.ClH/c1-2-6-11-10(5-1)15-12(16-11)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2,(H,14,15);1H
InChI Key:
YBLICELIXVEAGL-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)Nc1nc2c(o1)cccc2.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.73g/mol
Monoisotopic Mass:
253.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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