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1889-05-0 | 1,3-Benzenedimethanamine, 4,6-dimethyl-
CAS No: 1889-05-0 Catalog No: AG002HHV MDL No:
Product Description
Catalog Number:
AG002HHV
Chemical Name:
1,3-Benzenedimethanamine, 4,6-dimethyl-
CAS Number:
1889-05-0
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
[5-(aminomethyl)-2,4-dimethylphenyl]methanamine
InChI:
InChI=1S/C10H16N2/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5-6,11-12H2,1-2H3
InChI Key:
OEESPXCGNUWLEZ-UHFFFAOYSA-N
SMILES:
NCc1cc(CN)c(cc1C)C
NSC Number:
163990
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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