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14502-48-8 | 2-Propyn-1-amine, 3-bromo-N,N-dimethyl-
CAS No: 14502-48-8 Catalog No: AG001KHR MDL No:
Product Description
Catalog Number:
AG001KHR
Chemical Name:
2-Propyn-1-amine, 3-bromo-N,N-dimethyl-
CAS Number:
14502-48-8
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
IUPAC Name:
3-bromo-N,N-dimethylprop-2-yn-1-amine
InChI:
InChI=1S/C5H8BrN/c1-7(2)5-3-4-6/h5H2,1-2H3
InChI Key:
JKSMFDGBHHRBGG-UHFFFAOYSA-N
SMILES:
CN(CC#CBr)C
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.03g/mol
Monoisotopic Mass:
160.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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