Name: 1-[3-(DIMETHYLAMINO)PROPYL]PIPERAZINE
SKU: 877-96-3

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Basic Information

Molecular Structure:
CAS No.:	877-96-3
Name:	1-[3-(DIMETHYLAMINO)PROPYL]PIPERAZINE
Article Data:	6

Formula:	C₉H₂₁N₃
Molecular Weight:	171.286
Synonyms:	Piperazine,1-[3-(dimethylamino)propyl]- (7CI,8CI);1-[3-(Dimethylamino)propyl]piperazine;4-(3-(Dimethylamino)propyl)piperazine;Dimethyl(3-piperazin-1-ylpropyl)amine;N,N-Dimethyl-3-(piperazin-1-yl)propan-1-amine;
Density:	0.911 g/cm³
Boiling Point:	237.5 °C at 760 mmHg
Flash Point:	94 °C
Appearance:	Clear light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	18.51000
LogP:	0.11000

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Specification

This chemical is called 1-Piperazinepropanamine, N,N-dimethyl-, and its systematic name is N,N-Dimethyl-3-(piperazin-1-yl)propan-1-amine. With the molecular formula of C₉H₂₁N₃, its molecular weight is 171.28. The CAS registry number of this chemical is 877-96-3. Additionally, its product category is Piperidine.

Other characteristics of the 1-Piperazinepropanamine, N,N-dimethyl- can be summarised as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.91; (4)ACD/LogD (pH 7.4): -3.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 52.3 cm³; (15)Molar Volume: 187.8 cm³; (16)Polarizability: 20.73×10^-24cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 47.43 kJ/mol; (21)Boiling Point: 237.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0447 mmHg at 25°C.

Uses of this chemical: The 1-Piperazinepropanamine, N,N-dimethyl- could react with 6,8-difluoro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid, and obtain the 6-[4-(3-dimethylamino-propyl)-πperazin-1-yl]-1-ethyl-8-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid. This reaction should be taken for 5 hours at the temperature of 130 - 140 °C. The yield is 69 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: N1CCN(CCCN(C)C)CC1
2.InChI: InChI=1/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
3.InChIKey: YJRGRZJKGMBHIB-UHFFFAOYAT