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18102-21-1 | Benzenamine, 2,3,6-trimethyl-
CAS No: 18102-21-1 Catalog No: AG0022MM MDL No:
Product Description
Catalog Number:
AG0022MM
Chemical Name:
Benzenamine, 2,3,6-trimethyl-
CAS Number:
18102-21-1
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
2,3,6-trimethylaniline
InChI:
InChI=1S/C9H13N/c1-6-4-5-7(2)9(10)8(6)3/h4-5H,10H2,1-3H3
InChI Key:
FHMPFSKGDPKPDJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1N)C)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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