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86506-79-8 | 2-Butanol, 1-amino-4-[3-(1-piperidinylmethyl)phenoxy]-
CAS No: 86506-79-8 Catalog No: AG004M0N MDL No:
Product Description
Catalog Number:
AG004M0N
Chemical Name:
2-Butanol, 1-amino-4-[3-(1-piperidinylmethyl)phenoxy]-
CAS Number:
86506-79-8
Molecular Formula:
C16H26N2O2
Molecular Weight:
278.3898
IUPAC Name:
1-amino-4-[3-(piperidin-1-ylmethyl)phenoxy]butan-2-ol
InChI:
InChI=1S/C16H26N2O2/c17-12-15(19)7-10-20-16-6-4-5-14(11-16)13-18-8-2-1-3-9-18/h4-6,11,15,19H,1-3,7-10,12-13,17H2
InChI Key:
ZXZMYKUDDJHDGK-UHFFFAOYSA-N
SMILES:
NCC(CCOc1cccc(c1)CN1CCCCC1)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.396g/mol
Monoisotopic Mass:
278.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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