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30956-95-7 | 1-Propen-1-aminium, N,N,N-trimethyl-3-oxo-3-phenyl-, chloride (1:1)
CAS No: 30956-95-7 Catalog No: AG0031R2 MDL No:
Product Description
Catalog Number:
AG0031R2
Chemical Name:
1-Propen-1-aminium, N,N,N-trimethyl-3-oxo-3-phenyl-, chloride (1:1)
CAS Number:
30956-95-7
Molecular Formula:
C12H16ClNO
Molecular Weight:
225.7145
IUPAC Name:
trimethyl-[(E)-3-oxo-3-phenylprop-1-enyl]azanium;chloride
InChI:
InChI=1S/C12H16NO.ClH/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1/b10-9+;
InChI Key:
SYJWGWGXINQCSX-RRABGKBLSA-M
SMILES:
O=C(c1ccccc1)C=C[N+](C)(C)C.[Cl-]
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
225.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.716g/mol
Monoisotopic Mass:
225.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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