3-Nitrobenzylamine - CAS 7409-18-9
Catalog: |
BB034983 |
Product Name: |
3-Nitrobenzylamine |
CAS: |
7409-18-9 |
Synonyms: |
(3-nitrophenyl)methanamine; (3-nitrophenyl)methanamine |
IUPAC Name: | (3-nitrophenyl)methanamine |
Description: | 3-Nitrobenzylamine (CAS# 7409-18-9) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CN |
InChI: | InChI=1S/C7H8N2O2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5,8H2 |
InChI Key: | CIUYJYRQKYGNQP-UHFFFAOYSA-N |
LogP: | 2.27700 |
Publication Number | Title | Priority Date |
CN-111393365-A | Preparation method of Rosxastat | 20200324 |
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WO-2020117759-A1 | Small molecule degraders of helios and methods of use | 20181203 |
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PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
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: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Amines and Anilines
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