2,5-Dichlorobenzylamine - CAS 10541-69-2
Catalog: |
BB001640 |
Product Name: |
2,5-Dichlorobenzylamine |
CAS: |
10541-69-2 |
Synonyms: |
(2,5-dichlorophenyl)methanamine; (2,5-dichlorophenyl)methanamine |
IUPAC Name: | (2,5-dichlorophenyl)methanamine |
Description: | 2,5-Dichlorobenzylamine (CAS# 10541-69-2) is a dichlorinated benzylamine with inhibitory effect on phenylethanolamine N-methyl transferase. |
Molecular Weight: | 176.04 |
Molecular Formula: | C7H7Cl2N |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CN)Cl |
InChI: | InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 |
InChI Key: | AKGJLIXNRPNPCH-UHFFFAOYSA-N |
Boiling Point: | 85-86 °C (0.5 mmHg) |
Density: | 1.3172 g/mL at 25°C(lit.) |
MDL: | MFCD00052391 |
LogP: | 3.15240 |
GHS Hazard Statement: | H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020119896-A1 | Heterocyclic inhibitors of atx | 20181211 |
WO-2020123426-A1 | Aminoazine amides | 20181211 |
CN-110343089-A | Benzimidazole derivative and pharmaceutical use thereof | 20180402 |
TW-201922694-A | IDO/TDO inhibitor | 20171019 |
WO-2019078246-A1 | IDO / TDO INHIBITOR | 20171019 |
PMID | Publication Date | Title | Journal |
21999457 | 20111014 | OSCAR4: a flexible architecture for chemical text-mining | Journal of cheminformatics |
11886818 | 20020501 | Synthesis of potential thrombin inhibitors. Incorporation of tartaric acid templates as P2 proline mimetics | Bioorganic & medicinal chemistry |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9955546 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9955546 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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