N-(3,4-Methylenedioxybenzylidene)benzylamine - CAS 54089-45-1
Catalog: |
BB028496 |
Product Name: |
N-(3,4-Methylenedioxybenzylidene)benzylamine |
CAS: |
54089-45-1 |
Synonyms: |
1-(1,3-benzodioxol-5-yl)-N-benzylmethanimine |
IUPAC Name: | 1-(1,3-benzodioxol-5-yl)-N-benzylmethanimine |
Description: | N-(3,4-Methylenedioxybenzylidene)benzylamine (CAS# 54089-45-1 ) is a useful research chemical. |
Molecular Weight: | 239.27 |
Molecular Formula: | C15H13NO2 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C=NCC3=CC=CC=C3 |
InChI: | InChI=1S/C15H13NO2/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14/h1-8,10H,9,11H2 |
InChI Key: | BGNGXFPSLBOGHI-UHFFFAOYSA-N |
Boiling Point: | 372.1 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
MDL: | MFCD00115461 |
LogP: | 3.03440 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2020045402-A | Photopolymerization initiator, photopolymerization initiator set, photocurable composition, dental material, and cured product | 20180918 |
AU-1204300-A | Novel indenoisoquinolines as antineoplastic agents | 19981014 |
AU-765135-B2 | Novel indenoisoquinolines as antineoplastic agents | 19981014 |
CA-2347100-C | Novel indenoisoquinolines as antineoplastic agents | 19981014 |
EP-1123099-A1 | Novel indenoisoquinolines as antineoplastic agents | 19981014 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 30.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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