1-Acetylguanidine - CAS 5699-40-1
Catalog: |
BB029558 |
Product Name: |
1-Acetylguanidine |
CAS: |
5699-40-1 |
Synonyms: |
N-(diaminomethylidene)acetamide |
IUPAC Name: | N-(diaminomethylidene)acetamide |
Description: | 1-Acetylguanidine (CAS# 5699-40-1) is a useful research chemical. |
Molecular Weight: | 101.11 |
Molecular Formula: | C3H7N3O |
Canonical SMILES: | CC(=O)N=C(N)N |
InChI: | InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7) |
InChI Key: | NGGXACLSAZXJGM-UHFFFAOYSA-N |
Boiling Point: | 238.7 °C at 760 mmHg |
Melting Point: | 181-183 °C (lit.) |
Purity: | 95 % |
Density: | 1.34 g/cm3 |
Appearance: | White to off-white powder |
MDL: | MFCD00075615 |
LogP: | 0.20690 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22095697 | 20120102 | A synthetic approach to a peptide α-thioester from an unprotected peptide through cleavage and activation of a specific peptide bond by N-acetylguanidine | Angewandte Chemie (International ed. in English) |
18950149 | 20081127 | Acylguanidines as bioisosteres of guanidines: NG-acylated imidazolylpropylguanidines, a new class of histamine H2 receptor agonists | Journal of medicinal chemistry |
18159933 | 20080101 | An efficient and expeditious synthesis of di- and monosubstituted 2-aminoimidazoles | Journal of combinatorial chemistry |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 101.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.058911855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 81.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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