tert-Butyl (2-Methyl-1-oxopropan-2-yl)carbamate - CAS 109608-77-7
Catalog: |
BB002516 |
Product Name: |
tert-Butyl (2-Methyl-1-oxopropan-2-yl)carbamate |
CAS: |
109608-77-7 |
Synonyms: |
N-(2-methyl-1-oxopropan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(2-methyl-1-oxopropan-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-methyl-1-oxopropan-2-yl)carbamate |
Description: | tert-Butyl (2-Methyl-1-oxopropan-2-yl)carbamate (CAS# 109608-77-7) is a useful research chemical. |
Molecular Weight: | 187.24 |
Molecular Formula: | C9H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(C)(C)C=O |
InChI: | InChI=1S/C9H17NO3/c1-8(2,3)13-7(12)10-9(4,5)6-11/h6H,1-5H3,(H,10,12) |
InChI Key: | JXLSDCIHYQAXOA-UHFFFAOYSA-N |
Boiling Point: | 260.345 °C at 760 mmHg |
Density: | 1.002 g/cm3 |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 1.87950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021202781-A1 | N-heteroarylalkyl-2-(heterocyclyl and heterocyclylmethyl) acetamide derivatives as sstr4 agonists | 20200331 |
WO-2021171230-A1 | Novel substituted sulfonylurea and sulfoximineurea derivatives | 20200228 |
WO-2020193419-A1 | Novel potassium channel inhibitors | 20190322 |
WO-2020165741-A1 | Novel triterpene derivatives as hiv inhibitors | 20190211 |
WO-2020150372-A1 | Antimicrobial compounds and methods | 20190116 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.12084340 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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