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21056-86-0 | Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS No: 21056-86-0 Catalog No: AG002KVI MDL No:
Product Description
Catalog Number:
AG002KVI
Chemical Name:
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride (1:1)
CAS Number:
21056-86-0
Molecular Formula:
C12H20ClNO2
Molecular Weight:
245.7457
IUPAC Name:
benzyl-bis(2-hydroxyethyl)-methylazanium;chloride
InChI:
InChI=1S/C12H20NO2.ClH/c1-13(7-9-14,8-10-15)11-12-5-3-2-4-6-12;/h2-6,14-15H,7-11H2,1H3;1H/q+1;/p-1
InChI Key:
GZOXYNSFPWUMOH-UHFFFAOYSA-M
SMILES:
OCC[N+](Cc1ccccc1)(CCO)C.[Cl-]
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.118g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.747g/mol
Monoisotopic Mass:
245.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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