Home Other Building Blocks 1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine hydrochloride

1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine hydrochloride

CAS No.:
1171067-18-7
Catalog Number:
AG019MMI
Molecular Formula:
C13H22ClNO2
Molecular Weight:
259.7723
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Product Description
Catalog Number:
AG019MMI
Chemical Name:
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethan-1-amine hydrochloride
CAS Number:
1171067-18-7
Molecular Formula:
C13H22ClNO2
Molecular Weight:
259.7723
MDL Number:
MFCD10686923
IUPAC Name:
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C13H21NO2.ClH/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4;/h5-7,9-10H,8,14H2,1-4H3;1H
InChI Key:
QGXAGNMQJFUSMF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCC(C)C)C(N)C.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:
259.134g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.774g/mol
Monoisotopic Mass:
259.134g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties