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1172878-66-8 | Benzenemethanol, α-(aminomethyl)-4-methoxy-α-methyl-, hydrochloride (1:1)
CAS No: 1172878-66-8 Catalog No: AG000E1D MDL No:MFCD07366615
Product Description
Catalog Number:
AG000E1D
Chemical Name:
Benzenemethanol, α-(aminomethyl)-4-methoxy-α-methyl-, hydrochloride (1:1)
CAS Number:
1172878-66-8
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
MDL Number:
MFCD07366615
IUPAC Name:
1-amino-2-(4-methoxyphenyl)propan-2-ol;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c1-10(12,7-11)8-3-5-9(13-2)6-4-8;/h3-6,12H,7,11H2,1-2H3;1H
InChI Key:
OTDXEEIYACGIAN-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)OC)(O)C.Cl
Properties
Complexity:
155
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:
3
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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