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16217-25-7 | Butanoic acid, 3-(propylamino)-, ethyl ester
CAS No: 16217-25-7 Catalog No: AG001SUN MDL No:
Product Description
Catalog Number:
AG001SUN
Chemical Name:
Butanoic acid, 3-(propylamino)-, ethyl ester
CAS Number:
16217-25-7
Molecular Formula:
C9H19NO2
Molecular Weight:
173.2527
IUPAC Name:
ethyl 3-(propylamino)butanoate
InChI:
InChI=1S/C9H19NO2/c1-4-6-10-8(3)7-9(11)12-5-2/h8,10H,4-7H2,1-3H3
InChI Key:
WGBZCLZWZOESSR-UHFFFAOYSA-N
SMILES:
CCCNC(CC(=O)OCC)C
NSC Number:
51031
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.256g/mol
Monoisotopic Mass:
173.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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