4-Nitrophenethylamine hydrochloride - CAS 29968-78-3
Catalog: |
BB020397 |
Product Name: |
4-Nitrophenethylamine hydrochloride |
CAS: |
29968-78-3 |
Synonyms: |
2-(4-nitrophenyl)ethanamine;hydrochloride |
IUPAC Name: | 2-(4-nitrophenyl)ethanamine;hydrochloride |
Description: | 4-Nitrophenethylamine hydrochloride (CAS# 29968-78-3) is an intermediate used to prepare ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide. |
Molecular Weight: | 202.64 |
Molecular Formula: | C8H11ClN2O2 |
Canonical SMILES: | C1=CC(=CC=C1CCN)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12;/h1-4H,5-6,9H2;1H |
InChI Key: | JVMHULJEYUQYSH-UHFFFAOYSA-N |
Boiling Point: | 307.2 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.206 g/cm3 |
Appearance: | Yellow to brown crystalline powder and chunks |
MDL: | MFCD03095044 |
LogP: | 3.12150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21587938 | 20100623 | N-(4-Nitro-pheneth-yl)formamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0509053 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0509053 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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