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88461-58-9 | 1-Pentyn-3-amine, N,3-dimethyl-
CAS No: 88461-58-9 Catalog No: AG004DKA MDL No:
Product Description
Catalog Number:
AG004DKA
Chemical Name:
1-Pentyn-3-amine, N,3-dimethyl-
CAS Number:
88461-58-9
Molecular Formula:
C7H13N
Molecular Weight:
111.1848
IUPAC Name:
N,3-dimethylpent-1-yn-3-amine
InChI:
InChI=1S/C7H13N/c1-5-7(3,6-2)8-4/h1,8H,6H2,2-4H3
InChI Key:
KNDUEEJMTARWHD-UHFFFAOYSA-N
SMILES:
CCC(C#C)(NC)C
Properties
Complexity:
109
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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