CAS No.39890-45-4,1-((PYRROLIDINE-1-CARBONYL)METHYL)PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39890-45-4
Name:	1-((PYRROLIDINE-1-CARBONYL)METHYL)PIPERAZINE
Article Data:	2

Formula:	C₁₀H₁₉N₃O
Molecular Weight:	197.28
Synonyms:	Pyrrolidine,1-(1-piperazinylacetyl)- (6CI,9CI);1-(1-Piperazinylacetyl)pyrrolidine;1-(1-Pyrrolidinylcarbonylmethyl)piperazine;1-(2-(Pyrrolidin-1-yl)-2-oxoethyl)piperazine;1-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazine;1-Pyrrolidinocarbonylmethylpiperazine;1-[(1-Piperazinylmethyl)carbonyl]pyrrolidine;1-[2-(Piperazin-1-yl)acetyl]pyrrolidine;2-(Piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone;N-Pyrrolidinocarbonylmethylpiperazine;N-[2-(1-Piperazinyl)acetyl]pyrrolidine;NSC 330748;
EINECS:	254-677-4
Density:	1.092 g/cm³
Melting Point:	75 °C
Boiling Point:	356.16 °C at 760 mmHg
Flash Point:	169.2 °C
Appearance:	yellow
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	35.58000
LogP:	-0.28140

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Specification

The IUPAC name of Ethanone,2-(1-piperazinyl)-1-(1-pyrrolidinyl)- is 2-piperazin-1-yl-1-pyrrolidin-1-ylethanone. With the CAS registry number 39890-45-4, it is also named as 1-(Pyrrolidinocarbonylmethyl)piperazine. In addition, its molecular formula is C₁₀H₁₉N₃O and molecular weight is 197.28.

The other characteristics of this product can be summarized as: (1)EINECS: 254-677-4; (2)ACD/LogP: 0.07; (3)# of Rule of 5 Violations: 0 ; (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: 2; (11)Polar Surface Area: 35.58 Å²; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 54.592 cm³; (14)Molar Volume: 180.602 cm³; (15)Polarizability: 21.642×10^-24cm³; (16)Surface Tension: 41.21 dyne/cm; (17)Density: 1.092 g/cm³; (18)Flash Point: 169.2 °C; (19)Melting Point: 75 °C; (20)Enthalpy of Vaporization: 60.139 kJ/mol; (21)Boiling Point: 356.16 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Ethanone,2-(1-piperazinyl)-1-(1-pyrrolidinyl)-: it can react with 4-Methyl-benzaldehyde to get 2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone.

This reaction needs Formic acid at temperature of 120 °C. The yield is 38 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when use it. Moreover, 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: C1CCN(C1)C(=O)CN2CCNCC2
(2)InChI: InChI=1/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2
(3)InChIKey: KYBCXTTWIOZBNR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2
(5)Std. InChIKey: KYBCXTTWIOZBNR-UHFFFAOYSA-N