N-Methyl-4-nitrophenethylamine hydrochloride - CAS 166943-39-1
Catalog: |
BB012337 |
Product Name: |
N-Methyl-4-nitrophenethylamine hydrochloride |
CAS: |
166943-39-1 |
Synonyms: |
N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride |
IUPAC Name: | N-methyl-2-(4-nitrophenyl)ethanamine;hydrochloride |
Description: | N-Methyl-4-nitrophenethylamine hydrochloride (CAS# 166943-39-1) is used as a reactant in the preparation of small molecule CDC25 phosphatases inhibitors. |
Molecular Weight: | 216.66 |
Molecular Formula: | C9H12N2O2 · HCl |
Canonical SMILES: | CNCCC1=CC=C(C=C1)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C9H12N2O2.ClH/c1-10-7-6-8-2-4-9(5-3-8)11(12)13;/h2-5,10H,6-7H2,1H3;1H |
InChI Key: | VGJDSNZOPPZCTB-UHFFFAOYSA-N |
Boiling Point: | 335.8 °C at 760 mmHg |
Melting Point: | 222-227 °C |
Purity: | 95 % |
Appearance: | Yellow to brown crystalline powder |
MDL: | MFCD00674535 |
LogP: | 3.07280 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2020086309-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2011043480-A1 | Homocysteine synthase inhibitor | 20091009 |
JP-5282573-B2 | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element using the same | 20061227 |
JP-WO2008078796-A1 | Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display element using the same | 20061227 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0665554 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0665554 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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