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78982-47-5 | 1-Propyn-1-amine
CAS No: 78982-47-5 Catalog No: AG0054I3 MDL No:
Product Description
Catalog Number:
AG0054I3
Chemical Name:
1-Propyn-1-amine
CAS Number:
78982-47-5
Molecular Formula:
C3H5N
Molecular Weight:
55.0785
IUPAC Name:
prop-1-yn-1-amine
InChI:
InChI=1S/C3H5N/c1-2-3-4/h4H2,1H3
InChI Key:
RTWCHRMHGXBETA-UHFFFAOYSA-N
SMILES:
CC#CN
Properties
Complexity:
52.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
55.042g/mol
Formal Charge:
0
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
55.08g/mol
Monoisotopic Mass:
55.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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