3-Nitro-N-methylaniline - CAS 619-26-1
Catalog: |
BB031334 |
Product Name: |
3-Nitro-N-methylaniline |
CAS: |
619-26-1 |
Synonyms: |
N-methyl-3-nitroaniline |
IUPAC Name: | N-methyl-3-nitroaniline |
Description: | 3-Nitro-N-methylaniline (CAS# 619-26-1) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | CNC1=CC(=CC=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3 |
InChI Key: | IKSRCCUOUJJGAU-UHFFFAOYSA-N |
Boiling Point: | 274.7 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
MDL: | MFCD00963641 |
LogP: | 2.23270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22719713 | 20120601 | N-(4-Methyl-benz-yl)-3-nitro-aniline | Acta crystallographica. Section E, Structure reports online |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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