3-Chloro-N-methylbenzylamine - CAS 39191-07-6
Catalog: |
BB023873 |
Product Name: |
3-Chloro-N-methylbenzylamine |
CAS: |
39191-07-6 |
Synonyms: |
1-(3-chlorophenyl)-N-methylmethanamine |
IUPAC Name: | 1-(3-chlorophenyl)-N-methylmethanamine |
Description: | 3-Chloro-N-methylbenzylamine (CAS# 39191-07-6) is a useful research chemical compound. |
Molecular Weight: | 155.62 |
Molecular Formula: | C8H10ClN |
Canonical SMILES: | CNCC1=CC(=CC=C1)Cl |
InChI: | InChI=1S/C8H10ClN/c1-10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3 |
InChI Key: | ZPNLAQVYPIAHTO-UHFFFAOYSA-N |
Boiling Point: | 97 ℃ (0.6 mmHg) |
Purity: | 95 % |
Density: | 1.072 g/cm3 |
Appearance: | Colorless to tan liquid |
MDL: | MFCD00045194 |
LogP: | 2.45030 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P302+P352, P303+P361+P353, P305+P351+P338, P310, P321, P330, P332+P313, P362, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
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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: | 155.0501770 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0501770 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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