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78222-09-0

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Basic Information
CAS No.: 78222-09-0
Name: 1,3,7-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE
Article Data: 2
Molecular Structure:
Molecular Structure of 78222-09-0 (1,3,7-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE)
Formula: C7H11N3O2
Molecular Weight: 169.183
Synonyms: 1,3,7-TRIAZA-SPIRO[4.5]DECANE-2,4-DIONE;1,3,7-Triaza-spiro[4.5]decane-2,4-dione HCl;1,3,7-Triaza-spiro[4.5]decane-2,4-dione hydrochloride;1,3,7-Triazaspiro[4.5]decan-2,4-dione
Density: 1.35 g/cm3
PSA: 70.23000
LogP: -0.06560
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Specification

The 1,3,7-Triazaspiro[4.5]decane-2,4-dione is an organic compound with the formula C7H11N3O2. The systematic name of this chemical is 1,3,7-triazaspiro[4.5]decane-2,4-dione. With the CAS registry number 78222-09-0, it is also named as 2,4,7-triazaspiro[4.5]decane-1,3-dione. The product's category is Pharmacetical.

Physical properties about 1,3,7-Triazaspiro[4.5]decane-2,4-dione are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)Polar Surface Area: 70.23 Å2; (8)Index of Refraction: 1.578; (9)Molar Refractivity: 41.56 cm3; (10)Molar Volume: 125.1 cm3; (11)Polarizability: 16.47×10-24cm3; (12)Surface Tension: 56.2 dyne/cm; (13)Density: 1.35 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=O)NC12CCCNC1
(2)InChI: InChI=1/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)
(3)InChIKey: PLFDWSDBRBNQLQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)
(5)Std. InChIKey: PLFDWSDBRBNQLQ-UHFFFAOYSA-N