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69178-40-1 | aniline; 2-ethylaniline; formaldehyde
CAS No: 69178-40-1 Catalog No: AG005X6R MDL No:
Product Description
Catalog Number:
AG005X6R
Chemical Name:
aniline; 2-ethylaniline; formaldehyde
CAS Number:
69178-40-1
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
IUPAC Name:
aniline;2-ethylaniline;formaldehyde
InChI:
InChI=1S/C8H11N.C6H7N.CH2O/c1-2-7-5-3-4-6-8(7)9;7-6-4-2-1-3-5-6;1-2/h3-6H,2,9H2,1H3;1-5H,7H2;1H2
InChI Key:
SEZRUPWYZTZTFF-UHFFFAOYSA-N
SMILES:
Nc1ccccc1.CCc1ccccc1N.O=C
EC Number:
614-931-0
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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