CAS No.132710-90-8,4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132710-90-8
Name:	4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	15

Formula:	C₁₂H₂₄N₂O₃
Molecular Weight:	244.334
Synonyms:	1-(tert-Butoxycarbonyl)-4-(3-hydroxypropyl)piperazine;4-(3-Hydroxypropyl)piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl4-(3-hydroxypropyl)piperazine-1-carboxylate;
Density:	1.074g/cm³
Melting Point:	73-77 °C(lit.)
Boiling Point:	355.827 °C at 760 mmHg
Flash Point:	168.998 °C
Hazard Symbols:	T
Risk Codes:	25-36/37/38
Safety:	26-36/37/39-45
Transport Information:	UN 2811
PSA:	53.01000
LogP:	0.79730

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Specification

The 1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester, with CAS registry number 132710-90-8, belongs to the following product category: API intermediates. It has the systematic name of tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate. And the chemical formula of this chemical is C₁₂H₂₄N₂O₃.

Physical properties of 1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6; (7)ACD/KOC (pH 7.4): 25; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 53.01 Å²; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 65.889 cm³; (14)Molar Volume: 227.345 cm³; (15)Polarizability: 26.12×10^-24cm³; (16)Surface Tension: 40.235 dyne/cm; (17)Density: 1.075 g/cm³; (18)Flash Point: 168.998 °C; (19)Enthalpy of Vaporization: 69.582 kJ/mol; (20)Boiling Point: 355.827 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester irritates to eyes, respiratory system and skin. And it is toxic if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CCCO)CC1
(2)InChI: InChI=1/C12H24N2O3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10-15/h15H,4-10H2,1-3H3
(3)InChIKey: LRYRQGKGCIUVON-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-8-6-13(7-9-14)5-4-10-15/h15H,4-10H2,1-3H3
(5)Std. InChIKey: LRYRQGKGCIUVON-UHFFFAOYSA-N