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88702-54-9 | 5-Hexen-1-yn-3-amine, 1-(4-chlorophenyl)-N,N-diethyl-5-methyl-
CAS No: 88702-54-9 Catalog No: AG0046GU MDL No:
Product Description
Catalog Number:
AG0046GU
Chemical Name:
5-Hexen-1-yn-3-amine, 1-(4-chlorophenyl)-N,N-diethyl-5-methyl-
CAS Number:
88702-54-9
Molecular Formula:
C17H22ClN
Molecular Weight:
275.8163
IUPAC Name:
1-(4-chlorophenyl)-N,N-diethyl-5-methylhex-5-en-1-yn-3-amine
InChI:
InChI=1S/C17H22ClN/c1-5-19(6-2)17(13-14(3)4)12-9-15-7-10-16(18)11-8-15/h7-8,10-11,17H,3,5-6,13H2,1-2,4H3
InChI Key:
HTZHEDYXYLXARM-UHFFFAOYSA-N
SMILES:
CCN(C(CC(=C)C)C#Cc1ccc(cc1)Cl)CC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.144g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.82g/mol
Monoisotopic Mass:
275.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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