1,4-Di-Boc-piperazine-2-carboxylic acid - CAS 181955-79-3
Catalog: |
BB013853 |
Product Name: |
1,4-Di-Boc-piperazine-2-carboxylic acid |
CAS: |
181955-79-3 |
Synonyms: |
1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
IUPAC Name: | 1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid |
Description: | 1,4-Di-Boc-piperazine-2-carboxylic acid (CAS# 181955-79-3) is a useful research chemical. |
Molecular Weight: | 330.38 |
Molecular Formula: | C15H26N2O6 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19) |
InChI Key: | IIZGWFQKLVCLLA-UHFFFAOYSA-N |
Boiling Point: | 443.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.2 g/cm3 |
Appearance: | Solid |
MDL: | MFCD02179115 |
LogP: | 1.80320 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112321538-A | Method for synthesizing monoamine-protected piperazine- (R/S) 2-formate | 20201028 |
CN-111423454-A | Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist | 20200424 |
CN-111423454-B | Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist | 20200424 |
WO-2021037205-A1 | Compound and drug conjugate, and preparation method and use thereof | 20190829 |
WO-2020160710-A1 | Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist | 20190207 |
Complexity: | 477 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.17908655 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.17908655 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 96.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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