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23582-54-9 | Benzeneethanamine, β,3-dimethoxy-, hydrochloride (1:1)
CAS No: 23582-54-9 Catalog No: AG002NRX MDL No:MFCD30476301
Product Description
Catalog Number:
AG002NRX
Chemical Name:
Benzeneethanamine, β,3-dimethoxy-, hydrochloride (1:1)
CAS Number:
23582-54-9
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
MDL Number:
MFCD30476301
IUPAC Name:
2-methoxy-2-(3-methoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c1-12-9-5-3-4-8(6-9)10(7-11)13-2;/h3-6,10H,7,11H2,1-2H3;1H
InChI Key:
SVRFEXNTXJGYNU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(CN)OC.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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