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119123-66-9

119123-66-9 | Pyridinium, 1-[2-[[3-(diethylamino)propyl]amino]-2-oxoethyl]-, chloride (1:1)

CAS No: 119123-66-9 Catalog No: AG000I8S MDL No:

Product Description

Catalog Number:
AG000I8S
Chemical Name:
Pyridinium, 1-[2-[[3-(diethylamino)propyl]amino]-2-oxoethyl]-, chloride (1:1)
CAS Number:
119123-66-9
Molecular Formula:
C14H24ClN3O
Molecular Weight:
285.8129
IUPAC Name:
N-[3-(diethylamino)propyl]-2-pyridin-1-ium-1-ylacetamide;chloride
InChI:
InChI=1S/C14H23N3O.ClH/c1-3-16(4-2)12-8-9-15-14(18)13-17-10-6-5-7-11-17;/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3;1H
InChI Key:
UNGZQBICLXJXOP-UHFFFAOYSA-N
SMILES:
CCN(CCCNC(=O)C[n+]1ccccc1)CC.[Cl-]

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.161g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.816g/mol
Monoisotopic Mass:
285.161g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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