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123926-47-6 | 2-Hepten-4-yn-1-amine, 6,6-dimethyl-, (E)- (9CI)
CAS No: 123926-47-6 Catalog No: AG000L8V MDL No:
Product Description
Catalog Number:
AG000L8V
Chemical Name:
2-Hepten-4-yn-1-amine, 6,6-dimethyl-, (E)- (9CI)
CAS Number:
123926-47-6
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
IUPAC Name:
6,6-dimethylhept-1-en-4-yn-1-amine
InChI:
InChI=1S/C9H15N/c1-9(2,3)7-5-4-6-8-10/h6,8H,4,10H2,1-3H3
InChI Key:
CNOYSOLCLRCUKT-UHFFFAOYSA-N
SMILES:
NC/C=C/C#CC(C)(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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