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1159174-36-3 | 1-Heptanaminium, 7-bromo-N,N,N-trimethyl-, bromide (1:1)
CAS No: 1159174-36-3 Catalog No: AG000H3A MDL No:
Product Description
Catalog Number:
AG000H3A
Chemical Name:
1-Heptanaminium, 7-bromo-N,N,N-trimethyl-, bromide (1:1)
CAS Number:
1159174-36-3
Molecular Formula:
C10H23Br2N
Molecular Weight:
317.1043
IUPAC Name:
7-bromoheptyl(trimethyl)azanium;bromide
InChI:
InChI=1S/C10H23BrN.BrH/c1-12(2,3)10-8-6-4-5-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1
InChI Key:
DKZPHMNXOPCINV-UHFFFAOYSA-M
SMILES:
BrCCCCCCC[N+](C)(C)C.[Br-]
Properties
Complexity:
96.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.109g/mol
Monoisotopic Mass:
315.02g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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