2,3-Dichlorobenzylamine - CAS 39226-95-4
Catalog: |
BB023897 |
Product Name: |
2,3-Dichlorobenzylamine |
CAS: |
39226-95-4 |
Synonyms: |
(2,3-dichlorophenyl)methanamine |
IUPAC Name: | (2,3-dichlorophenyl)methanamine |
Description: | 2,3-Dichlorobenzylamine (CAS# 39226-95-4) is a useful compound in the study of potent antagonists of antiapoptotic protein XIAP for treatment of cancer. |
Molecular Weight: | 176.04 |
Molecular Formula: | C7H7Cl2N |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)Cl)CN |
InChI: | InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2 |
InChI Key: | JHBVZGONNIVXFJ-UHFFFAOYSA-N |
Boiling Point: | 136-140 °C (18 mmHg) |
Purity: | 95 % |
Density: | 1.321 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00047927 |
LogP: | 3.15240 |
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-110818759-A | Cucurbitacin derivative and preparation method and application thereof | 20191113 |
CN-110818759-B | Cucurbitacin derivative and preparation method and application thereof | 20191113 |
WO-2020119896-A1 | Heterocyclic inhibitors of atx | 20181211 |
WO-2020123426-A1 | Aminoazine amides | 20181211 |
WO-2020106625-A1 | Compounds and uses thereof | 20181119 |
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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