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157716-77-3 | 1H-Azepinium, hexahydro-4-hydroxy-1,1-dimethyl-
CAS No: 157716-77-3 Catalog No: AG001PNT MDL No:
Product Description
Catalog Number:
AG001PNT
Chemical Name:
1H-Azepinium, hexahydro-4-hydroxy-1,1-dimethyl-
CAS Number:
157716-77-3
Molecular Formula:
C8H18NO+
Molecular Weight:
144.2346
IUPAC Name:
1,1-dimethylazepan-1-ium-4-ol
InChI:
InChI=1S/C8H18NO/c1-9(2)6-3-4-8(10)5-7-9/h8,10H,3-7H2,1-2H3/q+1
InChI Key:
WXBOPMOGXCVDSY-UHFFFAOYSA-N
SMILES:
OC1CCC[N+](CC1)(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.139g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.238g/mol
Monoisotopic Mass:
144.139g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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