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1287218-67-0 | 2-[4-(Dimethylamino)butoxy]isonicotinic acid
CAS No: 1287218-67-0 Catalog No: AG01FAM7 MDL No:
Product Description
Catalog Number:
AG01FAM7
Chemical Name:
2-[4-(Dimethylamino)butoxy]isonicotinic acid
CAS Number:
1287218-67-0
Molecular Formula:
C12H18N2O3
Molecular Weight:
238.2829
IUPAC Name:
2-[4-(dimethylamino)butoxy]pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H18N2O3/c1-14(2)7-3-4-8-17-11-9-10(12(15)16)5-6-13-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChI Key:
NSMOIRAODMTBLN-UHFFFAOYSA-N
SMILES:
CN(CCCCOc1nccc(c1)C(=O)O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.287g/mol
Monoisotopic Mass:
238.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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