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1380300-44-6 | 4-[(4-Methoxyphenyl)methyl]oxan-4-aminehydrochloride
CAS No: 1380300-44-6 Catalog No: AG01F8IY MDL No:
Product Description
Catalog Number:
AG01F8IY
Chemical Name:
4-[(4-Methoxyphenyl)methyl]oxan-4-aminehydrochloride
CAS Number:
1380300-44-6
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
IUPAC Name:
4-[(4-methoxyphenyl)methyl]oxan-4-amine;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-11(3-5-12)10-13(14)6-8-16-9-7-13;/h2-5H,6-10,14H2,1H3;1H
InChI Key:
YWZRWNNIPBTDEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1(N)CCOCC1.Cl
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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