1-Benzyl-1,4,7,10-tetraazacyclododecane supplier

Name
1-Benzyl-1,4,7,10-tetraazacyclododecane
EINECS
CAS No. 112193-83-6
Article Data20
CAS DataBase
Density 0.971 g/cm³
Solubility Soluble in water.
Melting Point 84-86 °C
Formula C₁₅H₂₆N₄
Boiling Point 412.225 °C at 760 mmHg
Molecular Weight 262.398
Flash Point 218.947 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Benzyl-1,4,7,10-tetraazacyclododecane;
PSA 39.33000
LogP 1.19530

1-Benzyl-1,4,7,10-tetraazacyclododecane Specification

The 1,4,7,10-Tetraazacyclododecane, 1-(phenylmethyl)-, with the CAS registry number 112193-83-6, is also known as N-Benzyl-1,4,7,10-tetraazacyclododecane. It belongs to the product category of Organic Amine. This chemical's molecular formula is C₁₅H₂₆N₄ and molecular weight is 262.39. What's more, its systematic name is 1-benzyl-1,4,7,10-tetraazacyclododecane. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, water and moisture.

Physical properties of 1,4,7,10-Tetraazacyclododecane, 1-(phenylmethyl)- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.33 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 79.671 cm³; (15)Molar Volume: 270.347 cm³; (16)Polarizability: 31.584×10^-24cm³; (17)Surface Tension: 32.576 dyne/cm; (18)Density: 0.971 g/cm³; (19)Flash Point: 218.947 °C; (20)Enthalpy of Vaporization: 66.482 kJ/mol; (21)Boiling Point: 412.225 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCNCCN(CCNCC1)Cc2ccccc2
(2)Std. InChI: InChI=1S/C15H26N4/c1-2-4-15(5-3-1)14-19-12-10-17-8-6-16-7-9-18-11-13-19/h1-5,16-18H,6-14H2
(3)Std. InChIKey: FURLCQRFFWBENR-UHFFFAOYSA-N

Product Name

1-Benzyl-1,4,7,10-tetraazacyclododecane

1-Benzyl-1,4,7,10-tetraazacyclododecane Specification

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