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20726-63-0 | Ethanamine, N-ethyl-, acetate (1:1)
CAS No: 20726-63-0 Catalog No: AG002IY4 MDL No:MFCD00060243
Product Description
Catalog Number:
AG002IY4
Chemical Name:
Ethanamine, N-ethyl-, acetate (1:1)
CAS Number:
20726-63-0
Molecular Formula:
C6H15NO2
Molecular Weight:
133.1888
MDL Number:
MFCD00060243
IUPAC Name:
acetic acid;N-ethylethanamine
InChI:
InChI=1S/C4H11N.C2H4O2/c1-3-5-4-2;1-2(3)4/h5H,3-4H2,1-2H3;1H3,(H,3,4)
InChI Key:
UEHUZQKLOWYOMO-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCNCC
EC Number:
243-990-1
Properties
Complexity:
42.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.11g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
133.191g/mol
Monoisotopic Mass:
133.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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