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824403-36-3 | 2-Benzoxazolamine, N-[1-(1-cycloocten-1-ylmethyl)-4-piperidinyl]-
CAS No: 824403-36-3 Catalog No: AG004WAN MDL No:
Product Description
Catalog Number:
AG004WAN
Chemical Name:
2-Benzoxazolamine, N-[1-(1-cycloocten-1-ylmethyl)-4-piperidinyl]-
CAS Number:
824403-36-3
Molecular Formula:
C21H29N3O
Molecular Weight:
339.4745
IUPAC Name:
N-[1-(cycloocten-1-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C21H29N3O/c1-2-4-8-17(9-5-3-1)16-24-14-12-18(13-15-24)22-21-23-19-10-6-7-11-20(19)25-21/h6-8,10-11,18H,1-5,9,12-16H2,(H,22,23)
InChI Key:
XPHSUFIJGYEQMS-UHFFFAOYSA-N
SMILES:
C1CCCC(=CCC1)CN1CCC(CC1)Nc1nc2c(o1)cccc2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.231g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.483g/mol
Monoisotopic Mass:
339.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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