tert-Butyl isocyanoacetate - CAS 2769-72-4
Catalog: |
BB019651 |
Product Name: |
tert-Butyl isocyanoacetate |
CAS: |
2769-72-4 |
Synonyms: |
tert-butyl 2-isocyanoacetate |
IUPAC Name: | tert-butyl 2-isocyanoacetate |
Description: | tert-Butyl isocyanoacetate (CAS# 2769-72-4) is a useful research chemical. |
Molecular Weight: | 141.17 |
Molecular Formula: | C7H11NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)C[N+]#[C-] |
InChI: | InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)5-8-4/h5H2,1-3H3 |
InChI Key: | IQSYKHVFMYGJER-UHFFFAOYSA-N |
Boiling Point: | 50 ℃ (0.1 mmHg) |
Density: | 0.97 g/cm3 |
Appearance: | Yellow liquid |
MDL: | MFCD00042952 |
LogP: | 0.47810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113248418-A | 3-alkynyl-2, 4-diester-based pyrrole compound and preparation method thereof | 20210511 |
CN-113480476-A | 4-fluoropyridine derivative and preparation method and application thereof | 20210423 |
CN-112824438-A | Novel synthesis method of polyimide | 20191120 |
US-2020109121-A1 | Ionizable lipidoids and their uses | 20180831 |
WO-2020047399-A1 | Ionizable lipidoids and their uses | 20180831 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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