Home Aminos 2-amino-1-(3-methoxyphenyl)ethanol

2-amino-1-(3-methoxyphenyl)ethanol

CAS No.:
27382-18-9
Catalog Number:
AG00BG8U
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG00BG8U
Chemical Name:
2-amino-1-(3-methoxyphenyl)ethanol
CAS Number:
27382-18-9
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
2-amino-1-(3-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9,11H,6,10H2,1H3
InChI Key:
YQMQTEJARSWZPZ-UHFFFAOYSA-N
SMILES:
NCC(c1cccc(c1)OC)O
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Potent inhibition of Acid ceramidase by novel B-13 analogues. Journal of lipids 20110101
Properties