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1269099-42-4 | Benzenemethanamine, 4-ethoxy-N,α-dimethyl-, hydrochloride (1:1)
CAS No: 1269099-42-4 Catalog No: AG000TFQ MDL No:MFCD18483581
Product Description
Catalog Number:
AG000TFQ
Chemical Name:
Benzenemethanamine, 4-ethoxy-N,α-dimethyl-, hydrochloride (1:1)
CAS Number:
1269099-42-4
Molecular Formula:
C11H18ClNO
Molecular Weight:
215.7197
MDL Number:
MFCD18483581
IUPAC Name:
1-(4-ethoxyphenyl)-N-methylethanamine;hydrochloride
InChI:
InChI=1S/C11H17NO.ClH/c1-4-13-11-7-5-10(6-8-11)9(2)12-3;/h5-9,12H,4H2,1-3H3;1H
InChI Key:
SMBJLOBSWIMBKP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(NC)C.Cl
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.108g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.721g/mol
Monoisotopic Mass:
215.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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