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834918-98-8 | 3-Cyclohexen-1-amine, 3,4-diethynyl-N,N-dipropyl-
CAS No: 834918-98-8 Catalog No: AG005078 MDL No:
Product Description
Catalog Number:
AG005078
Chemical Name:
3-Cyclohexen-1-amine, 3,4-diethynyl-N,N-dipropyl-
CAS Number:
834918-98-8
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
3,4-diethynyl-N,N-dipropylcyclohex-3-en-1-amine
InChI:
InChI=1S/C16H23N/c1-5-11-17(12-6-2)16-10-9-14(7-3)15(8-4)13-16/h3-4,16H,5-6,9-13H2,1-2H3
InChI Key:
MEZDRMJNVFHPSH-UHFFFAOYSA-N
SMILES:
CCCN(C1CCC(=C(C1)C#C)C#C)CCC
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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