3-Chlorobenzylamine - CAS 4152-90-3
Catalog: |
BB024903 |
Product Name: |
3-Chlorobenzylamine |
CAS: |
4152-90-3 |
Synonyms: |
(3-chlorophenyl)methanamine |
IUPAC Name: | (3-chlorophenyl)methanamine |
Description: | 3-Chlorobenzylamine (CAS# 4152-90-3) is a useful research chemical. |
Molecular Weight: | 141.60 |
Molecular Formula: | C7H8ClN |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)CN |
InChI: | InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
InChI Key: | BJFPYGGTDAYECS-UHFFFAOYSA-N |
Boiling Point: | 110-112 °C (17 mmHg) |
Purity: | 95 % |
Density: | 1.15 g/cm3 |
Appearance: | Clear colorless to faint yellow liquid |
MDL: | MFCD00040752 |
LogP: | 2.49900 |
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 |
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PMID | Publication Date | Title | Journal |
21588449 | 20100731 | Bis[(3-chloro-benz-yl)ammonium] 2-phenyl-propane-dioate dihydrate | Acta crystallographica. Section E, Structure reports online |
16480269 | 20060223 | Application of fragment screening and fragment linking to the discovery of novel thrombin inhibitors | Journal of medicinal chemistry |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.0345270 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.0345270 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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