CAS No.956-61-6,1-(4-TERT-BUTYLBENZYL)PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	956-61-6
Name:	1-(4-TERT-BUTYLBENZYL)PIPERAZINE
Article Data:	7

Formula:	C₁₅H₂₄N₂
Molecular Weight:	232.369
Synonyms:	Piperazine, 1-(p-tert-butylbenzyl)-(6CI,7CI,8CI);1-((4-tert-Butylphenyl)methyl)piperazine;1-(4-tert-Butylbenzyl)piperazine;1-(p-tert-Butylbenzyl)piperazine;N-(p-tert-Butylbenzyl)piperazine;
Density:	0.974 g/cm³
Melting Point:	52-56 °C
Boiling Point:	326.1 °C at 760 mmHg
Flash Point:	114.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	15.27000
LogP:	2.65600

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Specification

The systematic name of Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]- is 1-(4-tert-butylbenzyl)piperazine. With the CAS registry number 956-61-6, it is also named as {[4-(tert-butyl)phenyl]methyl}piperazine. The product's categories are API Intermediates; Building Blocks; Heterocyclic Building Blocks; Piperazines.

The other characteristics of Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]- can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.09; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 18.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 72.91 cm³; (15)Molar Volume: 238.5 cm³; (16)Polarizability: 28.9×10^-24 cm³; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.974 g/cm³; (19)Flash Point: 114.7 °C; (20)Enthalpy of Vaporization: 56.83 kJ/mol; (21)Boiling Point: 326.1 °C at 760 mmHg ; (22)Vapour Pressure: 0.00022 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
1. SMILES:c1c(ccc(c1)C(C)(C)C)CN2CCNCC2
2. InChI:InChI=1/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
3. InChIKey:UQLCETYSARZZSR-UHFFFAOYAL
4. Std. InChI:InChI=1S/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
5. Std. InChIKey:UQLCETYSARZZSR-UHFFFAOYSA-N