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10029-30-8 | 1,4-Benzenediamine, N1-(1-methylpropyl)-
CAS No: 10029-30-8 Catalog No: AG0001H7 MDL No:
Product Description
Catalog Number:
AG0001H7
Chemical Name:
1,4-Benzenediamine, N1-(1-methylpropyl)-
CAS Number:
10029-30-8
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
4-N-butan-2-ylbenzene-1,4-diamine
InChI:
InChI=1S/C10H16N2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8,12H,3,11H2,1-2H3
InChI Key:
CMBRHCVQODXRRS-UHFFFAOYSA-N
SMILES:
CCC(Nc1ccc(cc1)N)C
NSC Number:
194887
Properties
Complexity:
117
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:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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