Catalog Number |
ACM119515387-2 |
CAS |
119515-38-7 |
Structure |
|
IUPAC Name |
butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate |
Synonyms |
BAYREPELVE;1-(2-butoxycarbonyl)-2-(2-hydroxyethyl)-piperidine;1-(1-methylpropoxycarbonyl)-2-(2-hydroxyethyl)piperidine;HYDROXYethyl ISOBUTYL PIPERIDINE CARBOXYLATE;sec-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate |
Molecular Weight |
229.32g/mol |
Molecular Formula |
C12H23NO3 |
Canonical SMILES |
CCC(C)OC(=O)N1CCCCC1CCO |
InChI |
InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3 |
InChI Key |
QLHULAHOXSSASE-UHFFFAOYSA-N |
Boiling Point |
296 °C |
Melting Point |
below -170ºC |
Flash Point |
153.9ºC |
Density |
1.041 g/cm³ |
Solubility |
Insoluble;In water, 8.2 g/L (pH 4-9); 8.6 g/L (unbuffered), at 20 °C;In water, 8.2X10+3 mg/L at 20 °C, pH 4-9;In acetone, 7520 g/L at 20 °C |
Appearance |
Colorless liquid |
Color Form |
Colorless liquid |
Complexity |
220 |
Covalently-Bonded Unit Count |
1 |
Decomposition |
When heated to decomposition it emits toxic vapors of nitrogen oxide. |
EC Number |
423-210-8 |
Exact Mass |
229.16779360g/mol |
Heavy Atom Count |
16 |
Hydrogen Bond Acceptor Count |
3 |
Log P |
2.09630 |
Monoisotopic Mass |
229.16779360g/mol |
Odor |
Nearly odorless |
PSA |
49.77 |
Refractive Index |
1.477 |
Rotatable Bond Count |
5 |
Topological Polar Surface Area |
49.8Ų |
UNII |
N51GQX0837 |
Vapor Pressure |
1.18E-05mmHg at 25°C |
Viscosity |
135.5 mPa.s at 20 °C |
X Log P3 |
2 |