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87530-58-3 | 6-Hepten-1-yn-1-amine, N,N-diethyl-6-methyl-
CAS No: 87530-58-3 Catalog No: AG004HAA MDL No:
Product Description
Catalog Number:
AG004HAA
Chemical Name:
6-Hepten-1-yn-1-amine, N,N-diethyl-6-methyl-
CAS Number:
87530-58-3
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
IUPAC Name:
N,N-diethyl-6-methylhept-6-en-1-yn-1-amine
InChI:
InChI=1S/C12H21N/c1-5-13(6-2)11-9-7-8-10-12(3)4/h3,5-8,10H2,1-2,4H3
InChI Key:
XOOSGDUYPUQAOE-UHFFFAOYSA-N
SMILES:
CCN(C#CCCCC(=C)C)CC
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.307g/mol
Monoisotopic Mass:
179.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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