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131671-78-8 | 1-Hexanaminium, N-[2-(2-hydroxyethoxy)ethyl]-N,N-dimethyl-, chloride (1:1)
CAS No: 131671-78-8 Catalog No: AG000ZK5 MDL No:
Product Description
Catalog Number:
AG000ZK5
Chemical Name:
1-Hexanaminium, N-[2-(2-hydroxyethoxy)ethyl]-N,N-dimethyl-, chloride (1:1)
CAS Number:
131671-78-8
Molecular Formula:
C12H28ClNO2
Molecular Weight:
253.8092
IUPAC Name:
hexyl-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium;chloride
InChI:
InChI=1S/C12H28NO2.ClH/c1-4-5-6-7-8-13(2,3)9-11-15-12-10-14;/h14H,4-12H2,1-3H3;1H/q+1;/p-1
InChI Key:
XZVAXVBQWJPKOG-UHFFFAOYSA-M
SMILES:
CCCCCC[N+](CCOCCO)(C)C.[Cl-]
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.181g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.811g/mol
Monoisotopic Mass:
253.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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