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14597-26-3

14597-26-3 | 2-Butyn-1-ol, 4-(dimethylamino)-

CAS No: 14597-26-3 Catalog No: AG001DKY MDL No:

Product Description

Catalog Number:
AG001DKY
Chemical Name:
2-Butyn-1-ol, 4-(dimethylamino)-
CAS Number:
14597-26-3
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
4-(dimethylamino)but-2-yn-1-ol
InChI:
InChI=1S/C6H11NO/c1-7(2)5-3-4-6-8/h8H,5-6H2,1-2H3
InChI Key:
KBXCIUVDXLQDNM-UHFFFAOYSA-N
SMILES:
OCC#CCN(C)C

Properties

Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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