N-Methyl-3,4-dichlorobenzylamine - CAS 5635-67-6
Catalog: |
BB029340 |
Product Name: |
N-Methyl-3,4-dichlorobenzylamine |
CAS: |
5635-67-6 |
Synonyms: |
1-(3,4-dichlorophenyl)-N-methylmethanamine; 1-(3,4-dichlorophenyl)-N-methylmethanamine |
IUPAC Name: | 1-(3,4-dichlorophenyl)-N-methylmethanamine |
Description: | N-Methyl-3,4-dichlorobenzylamine (CAS# 5635-67-6) is a useful research chemical. |
Molecular Weight: | 190.07 |
Molecular Formula: | C8H9Cl2N |
Canonical SMILES: | CNCC1=CC(=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3 |
InChI Key: | XOEHPEYVNJXYEN-UHFFFAOYSA-N |
Boiling Point: | 242.8 ℃ at 760 mmHg |
Density: | 1.226 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD0001362 |
LogP: | 3.10370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P330, P332+P313, P342+P311, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021072203-A1 | Tgfbetar1 inhibitor-asgr antibody conjugates and uses thereof | 20191009 |
WO-2021011834-A1 | Alk5 inhibitors, conjugates, and uses thereof | 20190716 |
US-2021015829-A1 | Cyclic trex1 inhibitors | 20190408 |
EP-3519385-B1 | Cyanopyrrolidine derivatives with activity as inhibitors of usp30 | 20160927 |
US-11014912-B2 | Cyanopyrrolidine derivatives with activity as inhibitors of USP30 | 20160927 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0112047 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0112047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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