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102571-38-0 | Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-tridecyl-, chloride (1:1)
CAS No: 102571-38-0 Catalog No: AG0007RL MDL No:
Product Description
Catalog Number:
AG0007RL
Chemical Name:
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-tridecyl-, chloride (1:1)
CAS Number:
102571-38-0
Molecular Formula:
C24H44ClNO2
Molecular Weight:
414.0647
IUPAC Name:
bis(2-hydroxyethyl)-(14-phenyltetradecyl)azanium;chloride
InChI:
InChI=1S/C24H43NO2.ClH/c26-22-20-25(21-23-27)19-15-10-8-6-4-2-1-3-5-7-9-12-16-24-17-13-11-14-18-24;/h11,13-14,17-18,26-27H,1-10,12,15-16,19-23H2;1H
InChI Key:
YJRGJIZXFRTDLQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO.[Cl-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.306g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.071g/mol
Monoisotopic Mass:
413.306g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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