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116538-40-0 | 1-Propanaminium, N-methyl-N,N-dipropyl-, propanoate (1:1)
CAS No: 116538-40-0 Catalog No: AG000CQ6 MDL No:
Product Description
Catalog Number:
AG000CQ6
Chemical Name:
1-Propanaminium, N-methyl-N,N-dipropyl-, propanoate (1:1)
CAS Number:
116538-40-0
Molecular Formula:
C13H29NO2
Molecular Weight:
231.3749
IUPAC Name:
methyl(tripropyl)azanium;propanoate
InChI:
InChI=1S/C10H24N.C3H6O2/c1-5-8-11(4,9-6-2)10-7-3;1-2-3(4)5/h5-10H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChI Key:
TYGMXGLQEONTHA-UHFFFAOYSA-M
SMILES:
CCC(=O)[O-].CCC[N+](CCC)(CCC)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.22g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.38g/mol
Monoisotopic Mass:
231.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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