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183322-32-9 | Benzenamine, 3-(1-propyn-1-yl)-
CAS No: 183322-32-9 Catalog No: AG0027IP MDL No:
Product Description
Catalog Number:
AG0027IP
Chemical Name:
Benzenamine, 3-(1-propyn-1-yl)-
CAS Number:
183322-32-9
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
3-prop-1-ynylaniline
InChI:
InChI=1S/C9H9N/c1-2-4-8-5-3-6-9(10)7-8/h3,5-7H,10H2,1H3
InChI Key:
KTUVWWBARHAYLK-UHFFFAOYSA-N
SMILES:
CC#Cc1cccc(c1)N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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