2-(1-Imidazolyl)ethylamine Dihydrochloride - CAS 93668-43-0
Catalog: |
BB041010 |
Product Name: |
2-(1-Imidazolyl)ethylamine Dihydrochloride |
CAS: |
93668-43-0 |
Synonyms: |
2-(1-imidazolyl)ethanamine;dihydrochloride; 2-imidazol-1-ylethanamine;dihydrochloride |
IUPAC Name: | 2-imidazol-1-ylethanamine;dihydrochloride |
Description: | 2-(1-Imidazolyl)ethylamine Dihydrochloride (CAS# 93668-43-0) is an intermediate in preparation for bis(nitroimidazolyl)alkanecarboxamide hypoxia-selective neoplasm inhibitor. |
Molecular Weight: | 184.07 |
Molecular Formula: | C5H11Cl2N3 |
Canonical SMILES: | C1=CN(C=N1)CCN.Cl.Cl |
InChI: | InChI=1S/C5H9N3.2ClH/c6-1-3-8-4-2-7-5-8;;/h2,4-5H,1,3,6H2;2*1H |
InChI Key: | ZFRZYBZIYLHQTL-UHFFFAOYSA-N |
Boiling Point: | 283.463 °C at 760 mmHg |
Density: | 1.153 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 1.34410 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021130347-A1 | Heteroaryl-biphenyl amines for the treatment of pd-l1 diseases | 20191016 |
WO-2021076688-A1 | Heteroaryl-biphenyl amines for the treatment of pd-l1 diseases | 20191016 |
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EP-3572411-A1 | Thiazole derivatives as metallo-beta-lactamase inhibitors | 20180521 |
US-2013190248-A1 | Substituted peptide analogs | 20110726 |
Complexity: | 64.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0330028 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0330028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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