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435345-29-2 | But-2-ynyl-p-tolyl-amine
CAS No: 435345-29-2 Catalog No: AG01FFJB MDL No:
Product Description
Catalog Number:
AG01FFJB
Chemical Name:
But-2-ynyl-p-tolyl-amine
CAS Number:
435345-29-2
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
N-but-2-ynyl-4-methylaniline
InChI:
InChI=1S/C11H13N/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8,12H,9H2,1-2H3
InChI Key:
RDLYNSHRHLCQGK-UHFFFAOYSA-N
SMILES:
CC#CCNc1ccc(cc1)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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