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114084-51-4 | 2-Propenoic acid, 3-(methylpentylamino)-
CAS No: 114084-51-4 Catalog No: AG000AI0 MDL No:
Product Description
Catalog Number:
AG000AI0
Chemical Name:
2-Propenoic acid, 3-(methylpentylamino)-
CAS Number:
114084-51-4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
3-[methyl(pentyl)amino]prop-2-enoic acid
InChI:
InChI=1S/C9H17NO2/c1-3-4-5-7-10(2)8-6-9(11)12/h6,8H,3-5,7H2,1-2H3,(H,11,12)
InChI Key:
QAAZBHHRUMUCOL-UHFFFAOYSA-N
SMILES:
CN(C=CC(=O)O)CCCCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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