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127582-36-9 | Benzenemethanaminium, N,N,N-trimethyl-, fluoride, hydrate (1:1:?)
CAS No: 127582-36-9 Catalog No: AG000X6O MDL No:MFCD00149987
Product Description
Catalog Number:
AG000X6O
Chemical Name:
Benzenemethanaminium, N,N,N-trimethyl-, fluoride, hydrate (1:1:?)
CAS Number:
127582-36-9
Molecular Formula:
C10H18FNO
Molecular Weight:
187.2544
MDL Number:
MFCD00149987
IUPAC Name:
benzyl(trimethyl)azanium;fluoride;hydrate
InChI:
InChI=1S/C10H16N.FH.H2O/c1-11(2,3)9-10-7-5-4-6-8-10;;/h4-8H,9H2,1-3H3;1H;1H2/q+1;;/p-1
InChI Key:
RQVPEOYSZICMEA-UHFFFAOYSA-M
SMILES:
C[N+](Cc1ccccc1)(C)C.O.[F-]
EC Number:
603-205-9
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.258g/mol
Monoisotopic Mass:
187.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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