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113576-11-7 | 1-Propanaminium, N,N,N-triethyl-3-[(1-oxooctyl)amino]-, chloride (1:1)
CAS No: 113576-11-7 Catalog No: AG00091B MDL No:
Product Description
Catalog Number:
AG00091B
Chemical Name:
1-Propanaminium, N,N,N-triethyl-3-[(1-oxooctyl)amino]-, chloride (1:1)
CAS Number:
113576-11-7
Molecular Formula:
C17H37ClN2O
Molecular Weight:
320.9415
IUPAC Name:
triethyl-[3-(octanoylamino)propyl]azanium;chloride
InChI:
InChI=1S/C17H36N2O.ClH/c1-5-9-10-11-12-14-17(20)18-15-13-16-19(6-2,7-3)8-4;/h5-16H2,1-4H3;1H
InChI Key:
DOERGEOBJPVOLI-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)NCCC[N+](CC)(CC)CC.[Cl-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.259g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.946g/mol
Monoisotopic Mass:
320.259g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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