1-[4-(Tert-butyl)phenyl]propylamine - CAS 886496-86-2

Name: 1-[4-(Tert-butyl)phenyl]propylamine
Brand: BOC Sciences
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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

Technical Data

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