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1439899-34-9 | 4-(4-Chlorophenyl)oxan-4-amine hydrochloride
CAS No: 1439899-34-9 Catalog No: AG01FAO7 MDL No:
Product Description
Catalog Number:
AG01FAO7
Chemical Name:
4-(4-Chlorophenyl)oxan-4-amine hydrochloride
CAS Number:
1439899-34-9
Molecular Formula:
C11H15Cl2NO
Molecular Weight:
248.1489
IUPAC Name:
4-(4-chlorophenyl)oxan-4-amine;hydrochloride
InChI:
InChI=1S/C11H14ClNO.ClH/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11;/h1-4H,5-8,13H2;1H
InChI Key:
PNKITSBQBRKWLL-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)c1ccc(cc1)Cl.Cl
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.147g/mol
Monoisotopic Mass:
247.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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