2-Methoxybenzylamine - CAS 6850-57-3
Catalog: |
BB033564 |
Product Name: |
2-Methoxybenzylamine |
CAS: |
6850-57-3 |
Synonyms: |
(2-methoxyphenyl)methanamine |
IUPAC Name: | (2-methoxyphenyl)methanamine |
Description: | 2-Methoxybenzylamine (CAS# 6850-57-3) is a 2-methoxy derivative of benzylamine. 2-Methoxybenzylamine is one the metabolites detected in urine after metabolism of dopamine analogues. 2-Methoxybenzylamine is used in the preparation of GABAA receptor ligands as analgesic agents. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | COC1=CC=CC=C1CN |
InChI: | InChI=1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3 |
InChI Key: | PXJACNDVRNAFHD-UHFFFAOYSA-N |
Boiling Point: | 231-233 °C |
Density: | 1.051 g/cm3 |
Appearance: | Clear slightly yellow liquid. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008110 |
LogP: | 1.85420 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112851521-A | Method for preparing primary amine by catalytic reduction of nitrile compound with nano porous palladium catalyst | 20201230 |
CN-112552232-A | Pyridone hexa-alkynylamine modified derivative and preparation method and application thereof | 20201216 |
CN-112808311-A | Zirconium-based metal organic framework material and preparation method and application thereof | 20201214 |
CN-112592318-A | 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof | 20201212 |
CN-112457363-A | Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof | 20201123 |
PMID | Publication Date | Title | Journal |
22907729 | 20120924 | A photoactivated molecular gate | Chemistry (Weinheim an der Bergstrasse, Germany) |
22545017 | 20120101 | The role of neurokinin-1 receptor in the microenvironment of inflammation and cancer | TheScientificWorldJournal |
21587715 | 20100616 | (2-Meth-oxy-benz-yl)(2-meth-oxy-benzyl-idene)aza-nium (2-meth-oxy-phen-yl)methanaminium tetra-chloridozincate(II) monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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