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113840-08-7 | Ethanaminium, N,N-diethyl-N-methyl-, methyl carbonate (1:1)
CAS No: 113840-08-7 Catalog No: AG0009U6 MDL No:
Product Description
Catalog Number:
AG0009U6
Chemical Name:
Ethanaminium, N,N-diethyl-N-methyl-, methyl carbonate (1:1)
CAS Number:
113840-08-7
Molecular Formula:
C9H21NO3
Molecular Weight:
191.2679
IUPAC Name:
methyl carbonate;triethyl(methyl)azanium
InChI:
InChI=1S/C7H18N.C2H4O3/c1-5-8(4,6-2)7-3;1-5-2(3)4/h5-7H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
VTQIDJHZYPEFBP-UHFFFAOYSA-M
SMILES:
CC[N+](CC)(CC)C.COC(=O)[O-]
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.271g/mol
Monoisotopic Mass:
191.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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