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113439-90-0 | 2-Pentyn-1-amine, 4,4-dimethyl-
CAS No: 113439-90-0 Catalog No: AG0008LE MDL No:MFCD19204088
Product Description
Catalog Number:
AG0008LE
Chemical Name:
2-Pentyn-1-amine, 4,4-dimethyl-
CAS Number:
113439-90-0
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
MDL Number:
MFCD19204088
IUPAC Name:
4,4-dimethylpent-2-yn-1-amine
InChI:
InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h6,8H2,1-3H3
InChI Key:
KZIPPJINJOKJRI-UHFFFAOYSA-N
SMILES:
NCC#CC(C)(C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.105g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.188g/mol
Monoisotopic Mass:
111.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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