CAS No.13625-39-3,1,3,8-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13625-39-3
Name:	1,3,8-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE

Formula:	C₇H₁₁N₃O₂
Molecular Weight:	169.183
Synonyms:	IFLAB-BB F2124-0748;
Density:	1.35 g/cm³
Melting Point:	314-316 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	70.23000
LogP:	-0.06560

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Specification

This chemical is called 1,3,8-Triazaspiro[4.5]decane-2,4-dione, and its IUPAC name is 2,4,8-triazaspiro[4.5]decane-1,3-dione. With the molecular formula of C₇H₁₁N₃O₂, its molecular weight is 169.18. The CAS registry number of this chemical is 13625-39-3, and its product category is Pharmacetical.

Other characteristics of the 1,3,8-Triazaspiro[4.5]decane-2,4-dione can be summarised as followings: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.93; (4)ACD/LogD (pH 7.4): -3; (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: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.86 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 41.56 cm³; (15)Molar Volume: 125.1 cm³; (16)Polarizability: 16.47×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.35 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1NC(=O)NC12CCNCC2
2.InChI: InChI=1/C7H11N3O2/c11-5-7(10-6(12)9-5)1-3-8-4-2-7/h8H,1-4H2,(H2,9,10,11,12)
3.InChIKey: HRSWSISJJJDBOQ-UHFFFAOYAY