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88702-61-8 | 5-Hexen-1-yn-3-amine, 1-(4-chlorophenyl)-N,N,4-trimethyl-
CAS No: 88702-61-8 Catalog No: AG0046GS MDL No:
Product Description
Catalog Number:
AG0046GS
Chemical Name:
5-Hexen-1-yn-3-amine, 1-(4-chlorophenyl)-N,N,4-trimethyl-
CAS Number:
88702-61-8
Molecular Formula:
C15H18ClN
Molecular Weight:
247.7631
IUPAC Name:
1-(4-chlorophenyl)-N,N,4-trimethylhex-5-en-1-yn-3-amine
InChI:
InChI=1S/C15H18ClN/c1-5-12(2)15(17(3)4)11-8-13-6-9-14(16)10-7-13/h5-7,9-10,12,15H,1H2,2-4H3
InChI Key:
HDFRURBLHXDGIL-UHFFFAOYSA-N
SMILES:
C=CC(C(N(C)C)C#Cc1ccc(cc1)Cl)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.766g/mol
Monoisotopic Mass:
247.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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