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10247-90-2 | 1-Heptanaminium, N,N,N-triheptyl-, chloride (1:1)
CAS No: 10247-90-2 Catalog No: AG0007KE MDL No:
Product Description
Catalog Number:
AG0007KE
Chemical Name:
1-Heptanaminium, N,N,N-triheptyl-, chloride (1:1)
CAS Number:
10247-90-2
Molecular Formula:
C28H60ClN
Molecular Weight:
446.2357
IUPAC Name:
tetraheptylazanium;chloride
InChI:
InChI=1S/C28H60N.ClH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1
InChI Key:
VMJQVRWCDVLJSI-UHFFFAOYSA-M
SMILES:
CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Cl-]
EC Number:
233-583-7
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.441g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.245g/mol
Monoisotopic Mass:
445.441g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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