(3-Bromo-5-isoxazolyl)methanamine Hydrochloride - CAS 90802-21-4
Catalog: |
BB039956 |
Product Name: |
(3-Bromo-5-isoxazolyl)methanamine Hydrochloride |
CAS: |
90802-21-4 |
Synonyms: |
(3-bromo-5-isoxazolyl)methanamine;hydrochloride; (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride |
IUPAC Name: | (3-bromo-1,2-oxazol-5-yl)methanamine;hydrochloride |
Description: | (3-Bromo-5-isoxazolyl)methanamine Hydrochloride (CAS# 90802-21-4) is a useful research chemical. |
Molecular Weight: | 213.46 |
Molecular Formula: | C4H6BrClN2O |
Canonical SMILES: | C1=C(ON=C1Br)CN.Cl |
InChI: | InChI=1S/C4H5BrN2O.ClH/c5-4-1-3(2-6)8-7-4;/h1H,2,6H2;1H |
InChI Key: | DLEMWTVPLLIRRI-UHFFFAOYSA-N |
Boiling Point: | 310.1 °C at 760 mmHg |
MDL: | MFCD08705903 |
LogP: | 2.39810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2009296839-A1 | Azaindazole compounds as CCR1 receptor antagonists | 20080926 |
CA-2737472-A1 | Azaindazole compounds as ccr1 receptor antagonists | 20080926 |
EP-2346868-B1 | Azaindazole compounds as ccr1 receptor antagonists | 20080926 |
JP-2012503664-A | Azaindazole compounds as CCR1 receptor antagonists | 20080926 |
JP-5507567-B2 | Azaindazole compounds as CCR1 receptor antagonists | 20080926 |
Complexity: | 80.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9352 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9352 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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