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51959-14-9

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Basic Information
CAS No.: 51959-14-9
Name: 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-butanamine
Article Data: 2
Molecular Structure:
Molecular Structure of 51959-14-9 (4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-butanamine)
Formula: C20H35NO
Molecular Weight: 305.504
Synonyms: 4-(2,4-Di-tert-amylphenoxy)butylamine;4-(2,4-Di-tert-pentylphenoxy)butylamine;d-(2,4-Di-tert-amylphenoxy)butylamine;
EINECS: 257-550-1
Density: 0.917 g/cm3
Boiling Point: 401 °C at 760 mmHg
Flash Point: 171.7 °C
PSA: 35.25000
LogP: 5.87980
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Chemistry

IUPAC Name: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine 
Empirical Formula: C20H35NO
Molecular Weight: 305.498 
EINECS: 257-550-1 
Structure of 1-Butanamine,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS NO.51959-14-9):

Index of Refraction: 1.49
Molar Refractivity: 96.4 cm3
Molar Volume: 333 cm3
Polarizability: 38.21×10-24cm3
Surface Tension: 31.3 dyne/cm
Density: 0.917 g/cm3
Flash Point: 171.7 °C
Enthalpy of Vaporization: 65.19 kJ/mol
Boiling Point: 401 °C at 760 mmHg
Vapour Pressure: 1.22E-06 mmHg at 25°C 
Product Categories: BUILDING BLOCKS 
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCCN)C(C)(C)CC
InChI: InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3
InChIKey: OZYOAOYHMMDTNZ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0555261,
mouse LD50 oral 800mg/kg (800mg/kg)   National Technical Information Service. Vol. OTS0555261,
rat LD50 oral 800mg/kg (800mg/kg)   National Technical Information Service. Vol. OTS0555261,

Specification

  1-Butanamine,4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- ,  its cas register number is 51959-14-9. It also can be called 4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-butanamine ; 4-(2,4-Di-t-pentylphenoxy)butylamine .