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102571-39-1 | Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-undecyl-, chloride (1:1)
CAS No: 102571-39-1 Catalog No: AG0007RK MDL No:
Product Description
Catalog Number:
AG0007RK
Chemical Name:
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-undecyl-, chloride (1:1)
CAS Number:
102571-39-1
Molecular Formula:
C22H40ClNO2
Molecular Weight:
386.0115
IUPAC Name:
bis(2-hydroxyethyl)-(12-phenyldodecyl)azanium;chloride
InChI:
InChI=1S/C22H39NO2.ClH/c24-20-18-23(19-21-25)17-13-8-6-4-2-1-3-5-7-10-14-22-15-11-9-12-16-22;/h9,11-12,15-16,24-25H,1-8,10,13-14,17-21H2;1H
InChI Key:
NIHQEDVHYFHVOL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO.[Cl-]
EC Number:
600-325-3
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.275g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
386.017g/mol
Monoisotopic Mass:
385.275g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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