N-Methyl-3-nitrobenzylamine - CAS 19499-61-7
Catalog: |
BB015096 |
Product Name: |
N-Methyl-3-nitrobenzylamine |
CAS: |
19499-61-7 |
Synonyms: |
N-methyl-1-(3-nitrophenyl)methanamine; N-methyl-1-(3-nitrophenyl)methanamine |
IUPAC Name: | N-methyl-1-(3-nitrophenyl)methanamine |
Description: | N-Methyl-3-nitrobenzylamine (CAS# 19499-61-7) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CNCC1=CC(=CC=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H10N2O2/c1-9-6-7-3-2-4-8(5-7)10(11)12/h2-5,9H,6H2,1H3 |
InChI Key: | NTPAPKLGADEFAM-UHFFFAOYSA-N |
Boiling Point: | 274.3 ℃ at 760 mmHg |
Density: | 1.162 g/cm3 |
MDL: | MFCD04115408 |
LogP: | 2.22830 |
Publication Number | Title | Priority Date |
WO-2016035008-A1 | Pyridopyrimidine derivatives as mek inhibitors | 20140904 |
US-2015133609-A1 | Non-fouling conducting polymers | 20131112 |
US-2016152628-A1 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | 20130702 |
AU-2013237020-A1 | Sulphonamide derivatives of benzylamine for the treatment of CNS diseases | 20120320 |
AU-2013237020-B2 | Sulphonamide derivatives of benzylamine for the treatment of CNS diseases | 20120320 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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