tert-Butyl 2-isocyano-3-methylbutyrate - CAS 32755-42-3
Catalog: |
BB021397 |
Product Name: |
tert-Butyl 2-isocyano-3-methylbutyrate |
CAS: |
32755-42-3 |
Synonyms: |
tert-butyl 2-isocyano-3-methylbutanoate |
IUPAC Name: | tert-butyl 2-isocyano-3-methylbutanoate |
Description: | tert-Butyl 2-isocyano-3-methylbutyrate (CAS# 32755-42-3 ) is a useful research chemical. |
Molecular Weight: | 183.25 |
Molecular Formula: | C10H17NO2 |
Canonical SMILES: | CC(C)C(C(=O)OC(C)(C)C)[N+]#[C-] |
InChI: | InChI=1S/C10H17NO2/c1-7(2)8(11-6)9(12)13-10(3,4)5/h7-8H,1-5H3 |
InChI Key: | WEQOFVFTJQSFPM-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | -20 ℃ |
LogP: | 1.50270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112824438-A | Novel synthesis method of polyimide | 20191120 |
CA-2967750-A1 | Solid phase synthesis of cyclic amino acid molecules | 20141119 |
EP-3221335-A1 | Solid phase synthesis of cyclic amino acid molecules | 20141119 |
US-2017320908-A1 | Solid phase synthesis of cyclic amino acid molecules | 20141119 |
WO-2016079682-A1 | Solid phase synthesis of cyclic amino acid molecules | 20141119 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.125928785 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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