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761440-79-3 | 2-(4-(4-Amino-3-methoxyphenyl)piperazin-1-yl)ethanol
CAS No: 761440-79-3 Catalog No: AG0057T8 MDL No:MFCD17392807
Product Description
Catalog Number:
AG0057T8
Chemical Name:
2-(4-(4-Amino-3-methoxyphenyl)piperazin-1-yl)ethanol
CAS Number:
761440-79-3
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
MDL Number:
MFCD17392807
IUPAC Name:
2-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]ethanol
InChI:
InChI=1S/C13H21N3O2/c1-18-13-10-11(2-3-12(13)14)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9,14H2,1H3
InChI Key:
PGMXELISHVKXPN-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)c1ccc(c(c1)OC)N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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