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69611-44-5 | Benzenamine, N-2-butynyl-
CAS No: 69611-44-5 Catalog No: AG005JZ2 MDL No:
Product Description
Catalog Number:
AG005JZ2
Chemical Name:
Benzenamine, N-2-butynyl-
CAS Number:
69611-44-5
Molecular Formula:
C10H11N
Molecular Weight:
145.2010
IUPAC Name:
N-but-2-ynylaniline
InChI:
InChI=1S/C10H11N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,9H2,1H3
InChI Key:
AXJMLZYMKQODSE-UHFFFAOYSA-N
SMILES:
CC#CCNc1ccccc1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.205g/mol
Monoisotopic Mass:
145.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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