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189349-86-8 | 2-Butyn-1-ol, 4-(ethylphenylamino)-
CAS No: 189349-86-8 Catalog No: AG002ICQ MDL No:
Product Description
Catalog Number:
AG002ICQ
Chemical Name:
2-Butyn-1-ol, 4-(ethylphenylamino)-
CAS Number:
189349-86-8
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
4-(N-ethylanilino)but-2-yn-1-ol
InChI:
InChI=1S/C12H15NO/c1-2-13(10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,14H,2,10-11H2,1H3
InChI Key:
QNTDBUKWGSBZIP-UHFFFAOYSA-N
SMILES:
CCN(c1ccccc1)CC#CCO
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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