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14526-99-9 | 2-Octanamine, N-methyl-N-2-propyn-1-yl-
CAS No: 14526-99-9 Catalog No: AG001KQM MDL No:
Product Description
Catalog Number:
AG001KQM
Chemical Name:
2-Octanamine, N-methyl-N-2-propyn-1-yl-
CAS Number:
14526-99-9
Molecular Formula:
C12H23N
Molecular Weight:
181.3177
IUPAC Name:
N-methyl-N-prop-2-ynyloctan-2-amine
InChI:
InChI=1S/C12H23N/c1-5-7-8-9-10-12(3)13(4)11-6-2/h2,12H,5,7-11H2,1,3-4H3
InChI Key:
ZIEVEMJNFUFOKC-UHFFFAOYSA-N
SMILES:
CCCCCCC(N(CC#C)C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.323g/mol
Monoisotopic Mass:
181.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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