2-Aminopyrimidine-5-boronic acid - CAS 936250-22-5
Catalog: |
BB040997 |
Product Name: |
2-Aminopyrimidine-5-boronic acid |
CAS: |
936250-22-5 |
Synonyms: |
2-Amino-pyrimidine-5-boronic acid; 2-aminopyrimidin-5-ylboronic acid; 2-Amino-5-pyrimidineboronic acid; MFCD07375147; 2-AMINOPYRIMIDIN-5-YL-5-BORONIC ACID; AK-62138; ACMC-209rmr |
IUPAC Name: | (2-aminopyrimidin-5-yl)boronic acid |
Description: | May contain varying amounts of anhydride. |
Molecular Weight: | 138.92 |
Molecular Formula: | C4H6BN3O2 |
Canonical SMILES: | B(C1=CN=C(N=C1)N)(O)O |
InChI: | InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8) |
InChI Key: | CGHYQZASLKERLV-UHFFFAOYSA-N |
Boiling Point: | 487.0±55.0 °C (Predicted) |
Melting Point: | 206-211 °C |
Purity: | > 98 % (HPLC) |
Density: | 1.440±0.10 g/cm3 (Predicted) |
Solubility: | Slightly soluble in DMSO (Heated), Methanol (Heated) |
Appearance: | Off-white solid |
Storage: | 2-8 °C under inert atmosphere |
MDL: | MFCD07375147 |
LogP: | -1.68020 |
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 |
Publication Number | Title | Priority Date |
CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-112574191-A | Isoxazole heterocyclic compound and application thereof | 20190929 |
WO-2021003517-A1 | Derivatives of 4-(imidazo[l,2-a]pyridin-3-yl)-n-(pyridinyl)pyrimidin- 2-amine as therapeutic agents | 20190710 |
WO-2020254550-A1 | Carbon quantum dots with improved optical properties | 20190620 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.0553066 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.0553066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 92.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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