Ethyl (4-aminophenyl)carbamate - CAS 57399-97-0
Catalog: |
BB029692 |
Product Name: |
Ethyl (4-aminophenyl)carbamate |
CAS: |
57399-97-0 |
Synonyms: |
ethyl N-(4-aminophenyl)carbamate |
IUPAC Name: | ethyl N-(4-aminophenyl)carbamate |
Description: | Ethyl (4-aminophenyl)carbamate (CAS# 57399-97-0) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C9H12N2O2 |
Canonical SMILES: | CCOC(=O)NC1=CC=C(C=C1)N |
InChI: | InChI=1S/C9H12N2O2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3,(H,11,12) |
InChI Key: | SABZQUOBNXDLDV-UHFFFAOYSA-N |
Boiling Point: | 275.574 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD00134818 |
LogP: | 2.49140 |
GHS Hazard Statement: | H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2978425-B1 | Factor xia inhibitors | 20130327 |
AU-2014235750-A1 | Inhibitors of indoleamine 2,3-dioxygenase (IDO) | 20130315 |
AU-2014235750-B2 | Inhibitors of indoleamine 2,3-dioxygenase (IDO) | 20130315 |
CA-2905452-A1 | Inhibitors of indoleamine 2,3-dioxygenase (ido) | 20130315 |
DK-2970155-T3 | Inhibitors of indoleamine 2,3-dioxygenase (ido) | 20130315 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.08987763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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