The
N,N'-di-sec-Butyl-p-phenylenediamine, with the CAS registry number 101-96-2, is also known as p-Phenylenediamine, N,N'-di-sec-butyl-. N,N'-di-sec-Butyl-p-phenylenediamine
（cas 101-96-2） belongs to the product categories of Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 202-992-2. N,N'-di-sec-Butyl-p-phenylenediamine（cas
101-96-2） molecular formula is C14H24N2 and molecular weight is 220.353760. N,N'-di-sec-Butyl-p-phenylenediamine（cas 101-96-2） IUPAC name is called 1-N,4-N-di(butan-2-yl)
benzene-1,4-diamine.
Physical properties of N,N'-di-sec-Butyl-p-phenylenediamine（cas 101-96-2）:
(1)ACD/LogP: 3.39;
(2)ACD/LogD (pH 5.5): 0.98;
(3)ACD/LogD (pH 7.4): 2.13;
(4)ACD/BCF (pH 5.5): 1;
(5)ACD/BCF (pH 7.4): 12.1;
(6)ACD/KOC (pH 5.5): 6.4;
(7)ACD/KOC (pH 7.4): 90.58;
(8)#H bond acceptors: 2;
(9)#H bond donors: 2;
(10)#Freely Rotating Bonds: 6;
(11)Index of Refraction: 1.554;
(12)Molar Refractivity: 73.18 cm3;
(13)Molar Volume: 228.1 cm3;
(14)Surface Tension: 35.9 dyne/cm;
(15)Density: 0.965 g/cm3;
(16)Flash Point: 192.6 °C;
(17)Enthalpy of Vaporization: 58.71 kJ/mol;
(18)Boiling Point: 343.2 °C at 760 mmHg;
(19)Vapour Pressure: 7.15E-05 mmHg at 25°C.
When you are using N,N'-di-sec-Butyl-p-phenylenediamine（cas 101-96-2）, please be cautious about it as the following:
N,N'-di-sec-Butyl-p-phenylenediamine（cas 101-96-2） may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with
plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you
feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)NC1=CC=C(C=C1)NC(C)CC
(2)InChI: InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
(3)InChIKey: FSWDLYNGJBGFJH-UHFFFAOYSA-N
N,N'-di-sec-Butyl-p-phenylenediamine（cas 101-96-2） toxicity data is as follows:
Organism
|
Test Type
|
Route
|
Reported Dose (Normalized Dose)
|
Effect
|
Source
|
guinea pig
|
LD50
|
skin
|
5gm/kg (5000mg/kg)
|
|
Rubber Chemistry and Technology. Vol. 45, Pg. 627, 1972
|
mammal (species unspecified)
|
LD50
|
intraperitoneal
|
10mL/kg (10mL/kg)
|
|
International Polymer Science and Technology. Vol. 3, Pg. 93, 1976
|
rabbit
|
LD50
|
skin
|
2806mg/kg (2806mg/kg)
|
BEHAVIORAL: TREMOR
KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
|
National Technical Information Service. Vol. OTS0555010,
|
rat
|
LCLo
|
inhalation
|
600mg/m3/6H (600mg/m3)
|
|
Kodak Company Reports. Vol. 21MAY1971
|
rat
|
LD50
|
oral
|
148mg/kg (148mg/kg)
|
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
GASTROINTESTINAL: OTHER CHANGES
KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
|
National Technical Information Service. Vol. OTS0555010
|