Home Other Building Blocks (4-methoxyphenyl)(oxan-4-yl)methanamine hydrochloride

(4-methoxyphenyl)(oxan-4-yl)methanamine hydrochloride

CAS No.:
1427379-94-9
Catalog Number:
AG01A416
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
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Product Description
Catalog Number:
AG01A416
Chemical Name:
(4-methoxyphenyl)(oxan-4-yl)methanamine hydrochloride
CAS Number:
1427379-94-9
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD23144189
IUPAC Name:
(4-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11;/h2-5,11,13H,6-9,14H2,1H3;1H
InChI Key:
BMDFOLZYCIGXNC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C1CCOCC1)N.Cl
Properties
Complexity:
196  
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:
1  
Undefined Bond Stereocenter Count:
0
Properties