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820245-51-0 | Benzyl-[1-(4-methoxyphenyl)ethyl]amine hydrochloride
CAS No: 820245-51-0 Catalog No: AG01F8MR MDL No:MFCD06739404
Product Description
Catalog Number:
AG01F8MR
Chemical Name:
Benzyl-[1-(4-methoxyphenyl)ethyl]amine hydrochloride
CAS Number:
820245-51-0
Molecular Formula:
C16H20ClNO
Molecular Weight:
277.7891
MDL Number:
MFCD06739404
IUPAC Name:
N-benzyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C16H19NO.ClH/c1-13(15-8-10-16(18-2)11-9-15)17-12-14-6-4-3-5-7-14;/h3-11,13,17H,12H2,1-2H3;1H
InChI Key:
MSLAPLQJWAZFGI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(NCc1ccccc1)C.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.792g/mol
Monoisotopic Mass:
277.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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