4-(Benzyl(ethyl)amino)but-2-yn-1-ol - CAS 1309589-47-6
Catalog: |
BB055092 |
Product Name: |
4-(Benzyl(ethyl)amino)but-2-yn-1-ol |
CAS: |
1309589-47-6 |
Synonyms: |
4-(Benzyl(ethyl)amino)but-2-yn-1-ol; 4-[benzyl(ethyl)amino]but-2-yn-1-ol |
IUPAC Name: | 4-[benzyl(ethyl)amino]but-2-yn-1-ol |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | CCN(CC#CCO)CC1=CC=CC=C1 |
InChI: | InChI=1S/C13H17NO/c1-2-14(10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9,15H,2,10-12H2,1H3 |
InChI Key: | ROJSYAXGWLICJR-UHFFFAOYSA-N |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 23.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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