N-Boc-guanidine - CAS 219511-71-4
Catalog: |
BB017218 |
Product Name: |
N-Boc-guanidine |
CAS: |
219511-71-4 |
Synonyms: |
tert-butyl N-(diaminomethylidene)carbamate |
IUPAC Name: | tert-butyl N-(diaminomethylidene)carbamate |
Description: | N-Boc-guanidine (CAS# 219511-71-4) is used in preparation of imidazolylbenzamides as IRAK-4 inhibitors. |
Molecular Weight: | 159.19 |
Molecular Formula: | C6H13N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N=C(N)N |
InChI: | InChI=1S/C6H13N3O2/c1-6(2,3)11-5(10)9-4(7)8/h1-3H3,(H4,7,8,9,10) |
InChI Key: | UMOZLQVSOVNSCA-UHFFFAOYSA-N |
Boiling Point: | 259 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
LogP: | 1.59550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112827368-A | Anti-pollution reverse osmosis membrane and preparation method thereof | 20210107 |
WO-2021197275-A1 | Guanidine derivative and gene delivery system thereof | 20200330 |
CN-110698413-A | Substituted pyrimidine derivative containing guanidyl, pharmaceutical composition thereof, and preparation method and application thereof | 20191031 |
WO-2021066559-A1 | N-(1h-imidazol-2-yl)benzamide compound and pharmaceutical composition comprising the same as active ingredient | 20191002 |
WO-2021014380-A1 | Arginase inhibitors and methods of use thereof | 20190723 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.100776666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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