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13324-59-9 | 3-Cyclohexene-1-methanamine, N-methyl-N-2-propyn-1-yl-
CAS No: 13324-59-9 Catalog No: AG0014G8 MDL No:
Product Description
Catalog Number:
AG0014G8
Chemical Name:
3-Cyclohexene-1-methanamine, N-methyl-N-2-propyn-1-yl-
CAS Number:
13324-59-9
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
N-(cyclohex-3-en-1-ylmethyl)-N-methylprop-2-yn-1-amine
InChI:
InChI=1S/C11H17N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-5,11H,6-10H2,2H3
InChI Key:
XTFVPGNAVYVQIK-UHFFFAOYSA-N
SMILES:
C#CCN(CC1CCC=CC1)C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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