(3-Hydroxy-1-methyl-propyl)-carbamic acid tert-butyl ester - CAS 146514-31-0
Catalog: |
BB010094 |
Product Name: |
(3-Hydroxy-1-methyl-propyl)-carbamic acid tert-butyl ester |
CAS: |
146514-31-0 |
Synonyms: |
N-(4-hydroxybutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(4-hydroxybutan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-hydroxybutan-2-yl)carbamate |
Description: | (3-Hydroxy-1-methyl-propyl)-carbamic acid tert-butyl ester (CAS# 146514-31-0) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 189.25 |
Molecular Formula: | C9H19NO3 |
Canonical SMILES: | CC(CCO)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H19NO3/c1-7(5-6-11)10-8(12)13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12) |
InChI Key: | JSZOAOLSEKSNTD-UHFFFAOYSA-N |
Boiling Point: | 301.4 ℃ at 760 mmHg |
Density: | 1.01 g/cm3 |
Appearance: | Solid |
LogP: | 1.67290 |
Publication Number | Title | Priority Date |
US-2020347009-A1 | Bicyclic compounds | 20190416 |
WO-2020214734-A1 | Bicyclic compounds | 20190416 |
WO-2020097389-A1 | Bicyclic compounds | 20181109 |
CN-113302175-A | Bicyclic compounds | 20181109 |
EP-3877356-A1 | Bicyclic compounds | 20181109 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.13649347 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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