CAS No.95470-68-1,(4-ISOPROPYL-PIPERAZIN-1-YL)-ACETIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	95470-68-1
Name:	(4-ISOPROPYL-PIPERAZIN-1-YL)-ACETIC ACID

Formula:	C₉H₁₈N₂O₂
Molecular Weight:	186.254
Synonyms:	(4-Isopropylpiperazin-1-yl)aceticacid;
Density:	1.077 g/cm³
Melting Point:	114-115 °C
Boiling Point:	300.7 °C at 760 mmHg
Flash Point:	135.7 °C
Hazard Symbols:	Xi
PSA:	43.78000
LogP:	-0.02720

Total:19 Page 1 of 1 1

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Specification

The 1-Piperazineaceticacid, 4-(1-methylethyl)- is an organic compound with the formula C₉H₁₈N₂O₂. The IUPAC name of this chemical is 2-(4-propan-2-ylpiperazin-1-yl)acetic acid. With the CAS registry number 95470-68-1, it is also named as (4-Isopropylpiperazin-1-yl)acetic acid. The product's category is Piperazines.

Physical properties about 1-Piperazineaceticacid, 4-(1-methylethyl)- are: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): -2.23; (3)ACD/LogD (pH 7.4): -2.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 32.78 Å²; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 50.33 cm³; (14)Molar Volume: 172.8 cm³; (15)Polarizability: 19.95×10^-24cm³; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.077 g/cm³; (18)Flash Point: 135.7 °C; (19)Enthalpy of Vaporization: 59.48 kJ/mol; (20)Boiling Point: 300.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000259 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1CCN(C(C)C)CC1
(2)InChI: InChI=1/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
(3)InChIKey: ABCKTSYFMNBGKM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
(5)Std. InChIKey: ABCKTSYFMNBGKM-UHFFFAOYSA-N