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756440-42-3 | Benzeneethanol, beta-amino-beta-ethyl-4-methoxy- (9CI)
CAS No: 756440-42-3 Catalog No: AG005J1I MDL No:
Product Description
Catalog Number:
AG005J1I
Chemical Name:
Benzeneethanol, beta-amino-beta-ethyl-4-methoxy- (9CI)
CAS Number:
756440-42-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
2-amino-2-(4-methoxyphenyl)butan-1-ol
InChI:
InChI=1S/C11H17NO2/c1-3-11(12,8-13)9-4-6-10(14-2)7-5-9/h4-7,13H,3,8,12H2,1-2H3
InChI Key:
HMFXOGQANAQNDI-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OC)(CO)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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