Dimethyl (Boc-amino)malonate - CAS 61172-70-1
Catalog: |
BB030980 |
Product Name: |
Dimethyl (Boc-amino)malonate |
CAS: |
61172-70-1 |
Synonyms: |
dimethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate |
IUPAC Name: | dimethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate |
Description: | Dimethyl (Boc-amino)malonate (CAS# 61172-70-1 ) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C10H17NO6 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C10H17NO6/c1-10(2,3)17-9(14)11-6(7(12)15-4)8(13)16-5/h6H,1-5H3,(H,11,14) |
InChI Key: | UIQVFHUDWIETEY-UHFFFAOYSA-N |
Boiling Point: | 332.1 ℃ at 760 mmHg |
Purity: | 97 % |
Density: | 1.148 g/mL at 20 ℃(lit.) |
MDL: | MFCD00800272 |
LogP: | 0.61660 |
Publication Number | Title | Priority Date |
US-2016280639-A1 | Antibacterial agents | 20120510 |
US-9701622-B2 | Antibacterial agents | 20120510 |
CA-2531167-C | Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst | 20030630 |
EP-1640361-A2 | Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst | 20030630 |
EP-1640361-B1 | Asymmetric urea compounds and process for producing asymmetric compounds by asymmetric conjugate addition reaction using the same as catalyst | 20030630 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.10558726 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.10558726 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 90.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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