1-(Pyrrolidinocarbonylmethyl)piperazine supplier

Name
1-((PYRROLIDINE-1-CARBONYL)METHYL)PIPERAZINE
EINECS 254-677-4
CAS No. 39890-45-4
Article Data2
CAS DataBase
Density 1.092 g/cm³
Solubility
Melting Point 75 °C
Formula C₁₀H₁₉N₃O
Boiling Point 356.16 °C at 760 mmHg
Molecular Weight 197.28
Flash Point 169.2 °C
Transport Information
Appearance yellow
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 35.58000
LogP -0.28140

1-(Pyrrolidinocarbonylmethyl)piperazine 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

Product Name

1-((PYRROLIDINE-1-CARBONYL)METHYL)PIPERAZINE

1-(Pyrrolidinocarbonylmethyl)piperazine Specification

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