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100158-79-0 | 1-Piperidineacetic acid, 2-[(diethylamino)methyl]-
CAS No: 100158-79-0 Catalog No: AG000140 MDL No:
Product Description
Catalog Number:
AG000140
Chemical Name:
1-Piperidineacetic acid, 2-[(diethylamino)methyl]-
CAS Number:
100158-79-0
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
IUPAC Name:
2-[2-(diethylaminomethyl)piperidin-1-yl]acetic acid
InChI:
InChI=1S/C12H24N2O2/c1-3-13(4-2)9-11-7-5-6-8-14(11)10-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChI Key:
ZQTHSCUBLQNIBW-UHFFFAOYSA-N
SMILES:
CCN(CC1CCCCN1CC(=O)O)CC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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