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5417-45-8 | 2,3-Dimethylaniline hydrochloride
CAS No: 5417-45-8 Catalog No: AG003FK7 MDL No:MFCD00054332
Product Description
Catalog Number:
AG003FK7
Chemical Name:
2,3-Dimethylaniline hydrochloride
CAS Number:
5417-45-8
Molecular Formula:
C8H12ClN
Molecular Weight:
157.6406
MDL Number:
MFCD00054332
IUPAC Name:
2,3-dimethylaniline;hydrochloride
InChI:
InChI=1S/C8H11N.ClH/c1-6-4-3-5-8(9)7(6)2;/h3-5H,9H2,1-2H3;1H
InChI Key:
DUQDEEVOZDZJGQ-UHFFFAOYSA-N
SMILES:
Cc1c(C)cccc1N.Cl
NSC Number:
7641
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.641g/mol
Monoisotopic Mass:
157.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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