Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]- supplier

Name
1-(4-TERT-BUTYLBENZYL)PIPERAZINE
EINECS
CAS No. 956-61-6
Article Data7
CAS DataBase
Density 0.974 g/cm³
Solubility
Melting Point 52-56 °C
Formula C₁₅H₂₄N₂
Boiling Point 326.1 °C at 760 mmHg
Molecular Weight 232.369
Flash Point 114.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 15.27000
LogP 2.65600

Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]- 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

Product Name

1-(4-TERT-BUTYLBENZYL)PIPERAZINE

Piperazine, 1-[[4-(1,1-dimethylethyl)phenyl]methyl]- Specification

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