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122135-71-1 | 1-Octanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, bromide (1:1)
CAS No: 122135-71-1 Catalog No: AG0016U6 MDL No:
Product Description
Catalog Number:
AG0016U6
Chemical Name:
1-Octanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, bromide (1:1)
CAS Number:
122135-71-1
Molecular Formula:
C12H28BrNO
Molecular Weight:
282.2608
IUPAC Name:
2-hydroxyethyl-dimethyl-octylazanium;bromide
InChI:
InChI=1S/C12H28NO.BrH/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;/h14H,4-12H2,1-3H3;1H/q+1;/p-1
InChI Key:
PPHZUUDXSUQHET-UHFFFAOYSA-M
SMILES:
CCCCCCCC[N+](CCO)(C)C.[Br-]
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.135g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.266g/mol
Monoisotopic Mass:
281.135g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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