| CAS Number | 10575-26-5 |
| Catalog Number | AG00854L(AGN-PC-0JLJM3) |
| Chemical Name | 3-Pentyn-2-ol,5-(diethylamino)- |
| EC Number | 234-164-1 |
| IUPAC Name | 5-(diethylamino)pent-3-yn-2-ol |
| InChI | InChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-5,8H2,1-3H3 |
| InChI Key | ZBCYIXSZVFKXMB-UHFFFAOYSA-N |
| MDL Number | MFCD01763223 |
| Molecular Formula | C9H17NO |
| Molecular Weight | 155.2374 |
| SMILES | CC(O)C#CCN(CC)CC |
| Synonyms | 5-(Diethylamino)pent-3-yn-2-ol,
10575-26-5,
3-Pentyn-2-ol,5-(diethylamino)-,
EINECS 234-164-1,
AC1L3FAC,
5-Diethylamino-3-pentyn-2-ol,
AC1Q289F,
SCHEMBL1647893,
CTK4A4101,
ZBCYIXSZVFKXMB-UHFFFAOYSA-N,
5-(Diethylamino)-3-pentyn-2-ol,
AKOS003604321,
NE11963,
W-110280,
C9-H17-N-O,
AR-1G5523,
CID114413,
3-Pentyn-2-ol, 5-(diethylamino)-,
106454-65-3,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.241g/mol |
| Monoisotopic Mass | 155.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number