4-Isopropylaniline - CAS 99-88-7
Catalog: |
BB042357 |
Product Name: |
4-Isopropylaniline |
CAS: |
99-88-7 |
Synonyms: |
Benzenamine, 4-(1-methylethyl)-; 4-(1-Methylethyl)benzenamine; Cumidine; 1-Amino-4-isopropylbenzene; 4-(2-Propyl)aniline; 4-(Propan-2-yl)aniline; 4-Amino-1-isopropylbenzene; 4-Aminocumene; 4-Aminoisopropylbenzene; 4-Isopropylbenzenamine; 4-Isopropylphenylamine; [4-(1-Methylethyl)phenyl]amine; NSC 7198; p-Aminocumene; p-Cumidine; p-Isopropylaniline; β-(4-Aminophenyl)propane |
IUPAC Name: | 4-propan-2-ylaniline |
Molecular Weight: | 135.21 |
Molecular Formula: | C9H13N |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)N |
InChI: | InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3 |
InChI Key: | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
Boiling Point: | 225°C |
Melting Point: | 163-164°C |
Purity: | 95% |
Density: | 0.953±0.06 g/cm3 |
Solubility: | Soluble in Ethyl Acetate, Hexane |
Appearance: | Clear Pale Brown to Red-brown Liquid |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00007900 |
LogP: | 2.97340 |
GHS Hazard Statement: | H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461595-A | Method for synthesizing carbazole derivative | 20210616 |
AU-2021102623-A4 | Method for rapidly screening substances of very high concern (svhcs) in surface water and soil | 20210528 |
CN-112939802-A | Ferulic acid amide derivative, and synthesis method and application thereof | 20210204 |
CN-112898223-A | 1,3, 4-oxadiazole compound containing sulfonate/carboxylate structure and preparation method and application thereof | 20210201 |
CN-112957764-A | Method for extracting asiaticoside-rich composition from centella asiatica | 20210129 |
PMID | Publication Date | Title | Journal |
22464863 | 20120601 | Assessing the chemical and biological accessibility of the herbicide isoproturon in soil amended with biochar | Chemosphere |
21110068 | 20110601 | Isolation and characterization of an isoproturon mineralizing Sphingomonas sp. strain SH from a French agricultural soil | Biodegradation |
21380422 | 20110414 | Lewis acid double metal cyanide catalysts for hydroamination of phenylacetylene | Chemical communications (Cambridge, England) |
19836052 | 20091101 | Characterization of an isoproturon mineralizing bacterial culture enriched from a French agricultural soil | Chemosphere |
18825701 | 20090801 | Assessing the toxicity of herbicide isoproturon on Aporrectodea caliginosa (Oligochaeta) and its fate in soil ecosystem | Environmental toxicology |
Complexity: | 90.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.104799419 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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