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137406-79-2 | 1,3-Propanediaminium, N1-hexyl-N1,N1,N3,N3,N3-pentamethyl-, bromide (1:2)
CAS No: 137406-79-2 Catalog No: AG00138M MDL No:
Product Description
Catalog Number:
AG00138M
Chemical Name:
1,3-Propanediaminium, N1-hexyl-N1,N1,N3,N3,N3-pentamethyl-, bromide (1:2)
CAS Number:
137406-79-2
Molecular Formula:
C14H34Br2N2
Molecular Weight:
390.2412
IUPAC Name:
hexyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium;dibromide
InChI:
InChI=1S/C14H34N2.2BrH/c1-7-8-9-10-13-16(5,6)14-11-12-15(2,3)4;;/h7-14H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
WDMDMLQPIRVFLI-UHFFFAOYSA-L
SMILES:
CCCCCC[N+](CCC[N+](C)(C)C)(C)C.[Br-].[Br-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.248g/mol
Monoisotopic Mass:
388.109g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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