1-[4-(Tert-butyl)phenyl]propylamine - CAS 886496-86-2
Catalog: |
BB051447 |
Product Name: |
1-[4-(Tert-butyl)phenyl]propylamine |
CAS: |
886496-86-2 |
Synonyms: |
1-(4-tert-Butyl-phenyl)-propylamine; 1-(4-(tert-Butyl)phenyl)propan-1-amine; 1-[4-(tert-butyl)phenyl]propylamine; 1-[4-(2-Methyl-2-propanyl)phenyl]-1-propanamine; Benzenemethanamine, 4-(1,1-dimethylethyl)-α-ethyl-; 4-(1,1-dimethylethyl)-α-ethylbenzenemethanamine |
Related CAS: | 2226034-39-3 (monohydrochloride)
|
IUPAC Name: | 1-(4-tert-butylphenyl)propan-1-amine |
Description: | 1-[4-(Tert-butyl)phenyl]propylamine (CAS# 886496-86-2 ) is a useful research chemical. |
Molecular Weight: | 191.31 |
Molecular Formula: | C13H21N |
Canonical SMILES: | CCC(C1=CC=C(C=C1)C(C)(C)C)N |
InChI: | InChI=1S/C13H21N/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9,12H,5,14H2,1-4H3 |
InChI Key: | BMEFZEYKCJPZCH-UHFFFAOYSA-N |
Boiling Point: | 272.0±9.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 0.9±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.167399674 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.167399674 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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