CAS No.103315-50-0,1-Piperazinebutanamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103315-50-0
Name:	1-Piperazinebutanamine

Formula:	C₈H₁₉N₃
Molecular Weight:	157.26
Synonyms:	N-(4-Aminobutyl)-piperazine;4-Piperazin-1-ylbutan-1-amine;
Density:	0.937 g/cm³
Boiling Point:	255.6 °C at 760 mmHg
Flash Point:	108.4 °C
PSA:	41.29000
LogP:	0.59750

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Specification

The IUPAC name of 1-Piperazinebutanamine is 4-piperazin-1-ylbutan-1-amine. With the CAS registry number 103315-50-0, it is also named as N-(4-Aminobutyl)-piperazine. The product's categories are Piperidine; Pharmacetical. In addition, its molecular formula is C₈H₁₉N₃ and its molecular weight is 157.26.

The other characteristics of 1-Piperazinebutanamine can be summarized as: (1)ACD/LogP: -0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.34; (4)ACD/LogD (pH 7.4): -4.23; (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: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.72 Å²; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 47.48 cm³; (15)Molar Volume: 167.8 cm³; (16)Polarizability: 18.82×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.937 g/cm³; (19)Flash Point: 108.4 °C; (20)Enthalpy of Vaporization: 49.31 kJ/mol; (21)Boiling Point: 255.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0161 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: N1CCN(CCCCN)CC1
(2)InChI: InChI=1/C8H19N3/c9-3-1-2-6-11-7-4-10-5-8-11/h10H,1-9H2
(3)InChIKey: YONXRSPFKCGRNL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H19N3/c9-3-1-2-6-11-7-4-10-5-8-11/h10H,1-9H2
(5)Std. InChIKey: YONXRSPFKCGRNL-UHFFFAOYSA-N