Methyl 4-(2-acetylaminoethyl)benzoate - CAS 870703-69-8
Catalog: |
BB038198 |
Product Name: |
Methyl 4-(2-acetylaminoethyl)benzoate |
CAS: |
870703-69-8 |
Synonyms: |
methyl 4-(2-acetamidoethyl)benzoate |
IUPAC Name: | methyl 4-(2-acetamidoethyl)benzoate |
Description: | Methyl 4-(2-acetylaminoethyl)benzoate (CAS# 870703-69-8 ) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CC(=O)NCCC1=CC=C(C=C1)C(=O)OC |
InChI: | InChI=1S/C12H15NO3/c1-9(14)13-8-7-10-3-5-11(6-4-10)12(15)16-2/h3-6H,7-8H2,1-2H3,(H,13,14) |
InChI Key: | NNHJGOJEUOUOFH-UHFFFAOYSA-N |
Boiling Point: | 425.6 ℃ at 760 mmHg |
Density: | 1.111 g/cm3 |
MDL: | MFCD08276782 |
LogP: | 1.99210 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111247129-A | Piperazine derivatives as MAGL inhibitors | 20171010 |
TW-201922728-A | Novel heterocyclic compounds | 20171010 |
WO-2019072785-A1 | PIPERAZINE DERIVATIVES AS MAGL INHIBITORS | 20171010 |
EP-3694840-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
US-2020299277-A1 | Piperazine derivatives as magl inhibitors | 20171010 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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