2-(4-Isobutoxyphenyl)ethylamine - CAS 88655-03-2
Catalog: |
BB039132 |
Product Name: |
2-(4-Isobutoxyphenyl)ethylamine |
CAS: |
88655-03-2 |
Synonyms: |
2-[4-(2-methylpropoxy)phenyl]ethanamine; 2-[4-(2-methylpropoxy)phenyl]ethanamine |
IUPAC Name: | 2-[4-(2-methylpropoxy)phenyl]ethanamine |
Description: | 2-(4-Isobutoxyphenyl)ethylamine (CAS# 88655-03-2) is a useful research chemical. |
Molecular Weight: | 193.29 |
Molecular Formula: | C12H19NO |
Canonical SMILES: | CC(C)COC1=CC=C(C=C1)CCN |
InChI: | InChI=1S/C12H19NO/c1-10(2)9-14-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7-9,13H2,1-2H3 |
InChI Key: | ZHKGWDGMUKUETJ-UHFFFAOYSA-N |
MDL: | MFCD09729206 |
LogP: | 2.92290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, 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 |
WO-2019052545-A1 | CYCLIC PEPTIDE ANTIBIOTICS | 20170915 |
US-2020331968-A1 | Cyclic peptide antibiotics | 20170915 |
EP-3483149-A1 | Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same | 20160708 |
JP-2019520403-A | Benzo [D] thiazole derivative or salt thereof, and pharmaceutical composition containing the same | 20160708 |
KR-20180006167-A | Benzo[d]thiazole derivative or its salt and pharmaceutical composition comprising the same | 20160708 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.146664230 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.146664230 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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