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24996-76-7 | 1H-1,4-Diazepinium, hexahydro-1,1,4,4-tetramethyl-, bromide (1:2)
CAS No: 24996-76-7 Catalog No: AG002Q4L MDL No:
Product Description
Catalog Number:
AG002Q4L
Chemical Name:
1H-1,4-Diazepinium, hexahydro-1,1,4,4-tetramethyl-, bromide (1:2)
CAS Number:
24996-76-7
Molecular Formula:
C9H22N2++
Molecular Weight:
158.2844
IUPAC Name:
1,1,4,4-tetramethyl-1,4-diazepane-1,4-diium
InChI:
InChI=1S/C9H22N2/c1-10(2)6-5-7-11(3,4)9-8-10/h5-9H2,1-4H3/q+2
InChI Key:
MVDZCCMHLFHOJZ-UHFFFAOYSA-N
SMILES:
C[N+]1(C)CCC[N+](CC1)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.178g/mol
Formal Charge:
2
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.289g/mol
Monoisotopic Mass:
158.178g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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