1-Piperazinebutanamine,4-(phenylmethyl)- supplier

Name
1-Benzyl-4-(4-aminobutyl)piperazine
EINECS
CAS No. 4487-05-2
Article Data2
CAS DataBase
Density 1.025 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₅N₃
Boiling Point 368.5 °C at 760 mmHg
Molecular Weight 247.384
Flash Point 174 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-4-(4-aminobutyl)piperazine;4-(4-Benzylpiperazin-1-yl)butan-1-amine;
PSA 32.50000
LogP 2.11920

1-Piperazinebutanamine,4-(phenylmethyl)- Specification

The 1-Piperazinebutanamine,4-(phenylmethyl)-, with the CAS registry number 4487-05-2, is also known as 1-Benzyl-4-(4-aminobutyl)piperazine. This chemical's molecular formula is C₁₅H₂₅N₃ and molecular weight is 247.38. What's more, its systematic name is 4-(4-Benzylpiperazin-1-yl)butan-1-amine.

Physical properties of 1-Piperazinebutanamine,4-(phenylmethyl)- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 32.5 Å²; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 76.87 cm³; (13)Molar Volume: 241.1 cm³; (14)Polarizability: 30.47×10^-24 cm³; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.025 g/cm³; (17)Flash Point: 174 °C; (18)Enthalpy of Vaporization: 61.52 kJ/mol; (19)Boiling Point: 368.5 °C at 760 mmHg; (20)Vapour Pressure: 1.27E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCCN1CCN(CC1)Cc2ccccc2
(2)InChI: InChI=1/C15H25N3/c16-8-4-5-9-17-10-12-18(13-11-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14,16H2
(3)InChIKey: CELVPVTXKMNJMA-UHFFFAOYAP

Product Name

1-Benzyl-4-(4-aminobutyl)piperazine

1-Piperazinebutanamine,4-(phenylmethyl)- Specification

Related Products

Hot Products