3-(2-Methylphenoxy)propylamine - CAS 50911-61-0
Catalog: |
BB027265 |
Product Name: |
3-(2-Methylphenoxy)propylamine |
CAS: |
50911-61-0 |
Synonyms: |
3-(2-methylphenoxy)-1-propanamine; 3-(2-methylphenoxy)propan-1-amine |
IUPAC Name: | 3-(2-methylphenoxy)propan-1-amine |
Description: | 3-(2-Methylphenoxy)propylamine (CAS# 50911-61-0) is a useful research chemical. |
Molecular Weight: | 165.23 |
Molecular Formula: | C10H15NO |
Canonical SMILES: | CC1=CC=CC=C1OCCCN |
InChI: | InChI=1S/C10H15NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3 |
InChI Key: | HQOJWFLRPSWMBC-UHFFFAOYSA-N |
Boiling Point: | 269 °C at 760 mmHg |
Density: | 0.992 g/cm3 |
MDL: | MFCD05053655 |
LogP: | 2.42290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016355516-A1 | Nitrogen containing compounds and their use as antibacterial agents | 20140121 |
US-9822115-B2 | Nitrogen containing compounds and their use as antibacterial agents | 20140121 |
EP-2389352-B1 | Arginase inhibitors and methods of use | 20090126 |
WO-2006009884-A1 | 3-aryloxy-3-arylpropylamine synthesis | 20040617 |
US-2003114447-A1 | Small molecule inhibitors of caspases | 20010918 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.115364102 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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