3-Bromo-N-methylbenzylamine - CAS 67344-77-8
Catalog: |
BB033256 |
Product Name: |
3-Bromo-N-methylbenzylamine |
CAS: |
67344-77-8 |
Synonyms: |
1-(3-bromophenyl)-N-methylmethanamine |
IUPAC Name: | 1-(3-bromophenyl)-N-methylmethanamine |
Description: | 3-Bromo-N-methylbenzylamine (CAS# 67344-77-8) is a useful intermediate used in the preparation of 2,4-diamino-6-(benzylmethylamino)quinazolines with antimalarial and antitumor activities. |
Molecular Weight: | 200.08 |
Molecular Formula: | C8H10BrN |
Canonical SMILES: | CNCC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C8H10BrN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 |
InChI Key: | QCEANFBGRBLXHN-UHFFFAOYSA-N |
Boiling Point: | 231-232 °C |
Density: | 1.461 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD04507522 |
LogP: | 2.55940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112279786-A | Cannabidiol carbamate compound, pharmaceutical preparation, preparation method and application | 20201123 |
CN-112409224-A | Synthetic method of sulfonamide compound | 20201120 |
WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 20200331 |
TW-202009235-A | 1,2-dithiolone compounds and use thereof | 20180817 |
EP-3643308-A1 | Coumarin-like cyclic compound as mek inhibitor and use thereof | 20170623 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.99966 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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