1,4,7,10,13-Pentaazacyclopentadecane supplier

Name
1,4,7,10,13-Pentaazacyclopentadecane
EINECS
CAS No. 295-64-7
Article Data9
CAS DataBase
Density 0.874 g/cm³
Solubility
Melting Point 100-102℃
Formula C₁₀H₂₅N₅
Boiling Point 342.6 °C at 760 mmHg
Molecular Weight 215.342
Flash Point 167.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pentacyclen;
PSA 60.15000
LogP -0.40800

1,4,7,10,13-Pentaazacyclopentadecane Specification

The 1,4,7,10,13-Pentaazacyclopentadecane, with the CAS registry number 295-64-7, is also known as BRN 1210461. This chemical's molecular formula is C₁₀H₂₅N₅ and molecular weight is 215.339. Its IUPAC name is called 1,4,7,10,13-pentazacyclopentadecane. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 1,4,7,10,13-Pentaazacyclopentadecane: (1)ACD/LogP: -2.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -7.83; (4)ACD/LogD (pH 7.4): -7.06; (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: 5; (10)#H bond donors: 5; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 62.85 cm³; (13)Molar Volume: 246.2 cm³; (14)Surface Tension: 27.6 dyne/cm; (15)Density: 0.874 g/cm³; (16)Flash Point: 167.8 °C; (17)Enthalpy of Vaporization: 58.63 kJ/mol; (18)Boiling Point: 342.6 °C at 760 mmHg; (19)Vapour Pressure: 7.46E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CNCCNCCNCCNCCN1
(2)InChI: InChI=1S/C10H25N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h11-15H,1-10H2
(3)InChIKey: KDCBVVQAMMXRFB-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	300mg/kg (300mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 425, 1984.

Product Name

1,4,7,10,13-Pentaazacyclopentadecane

1,4,7,10,13-Pentaazacyclopentadecane Specification

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