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89450-30-6 | 1-Butanaminium, N-[bis(diethylamino)methylene]-N-butyl-, chloride
CAS No: 89450-30-6 Catalog No: AG0042VY MDL No:
Product Description
Catalog Number:
AG0042VY
Chemical Name:
1-Butanaminium, N-[bis(diethylamino)methylene]-N-butyl-, chloride
CAS Number:
89450-30-6
Molecular Formula:
C17H38ClN3
Molecular Weight:
319.9567
IUPAC Name:
bis(diethylamino)methylidene-dibutylazanium;chloride
InChI:
InChI=1S/C17H38N3.ClH/c1-7-13-15-20(16-14-8-2)17(18(9-3)10-4)19(11-5)12-6;/h7-16H2,1-6H3;1H/q+1;/p-1
InChI Key:
ZBOHREJNHNIBPL-UHFFFAOYSA-M
SMILES:
CCCC[N+](=C(N(CC)CC)N(CC)CC)CCCC.[Cl-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.275g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.962g/mol
Monoisotopic Mass:
319.275g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
9.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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