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123-47-7 | 1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, iodide (1:2)
CAS No: 123-47-7 Catalog No: AG000JX5 MDL No:
Product Description
Catalog Number:
AG000JX5
Chemical Name:
1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, iodide (1:2)
CAS Number:
123-47-7
Molecular Formula:
C9H24I2N2O
Molecular Weight:
430.1086
IUPAC Name:
[2-hydroxy-3-(trimethylazaniumyl)propyl]-trimethylazanium;diiodide
InChI:
InChI=1S/C9H24N2O.2HI/c1-10(2,3)7-9(12)8-11(4,5)6;;/h9,12H,7-8H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
UOZDOLIXBYLRAC-UHFFFAOYSA-L
SMILES:
OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]
EC Number:
204-630-9
UNII:
VKH95UNQ6N
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.113g/mol
Monoisotopic Mass:
429.998g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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