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736-83-4

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Basic Information
CAS No.: 736-83-4
Name: 8-methyl-3-[(phenylamino)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Molecular Structure:
Molecular Structure of 736-83-4 (8-methyl-3-[(phenylamino)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione)
Formula: C16H21N3O2
Molecular Weight: 287.362
Synonyms: 1,3-Diazaspiro[4.5]decane-2,4-dione,3-(anilinomethyl)-8-methyl- (7CI,8CI);NSC 150491;8-methyl-3-[(phenylamino)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione;
Density: 1.23 g/cm3
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Specification

The 1,3-Diazaspiro[4.5]decane-2,4-dione,8-methyl-3-[(phenylamino)methyl]-, with the CAS registry number 736-83-4, is also known as 1,3-Diazaspiro[4.5]decane-2,4-dione,3-(anilinomethyl)-8-methyl- (7CI,8CI). This chemical's molecular formula is C16H21N3O2 and molecular weight is 287.36. What's more, its systematic name is 8-methyl-3-[(phenylamino)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Physical properties of 1,3-Diazaspiro[4.5]decane-2,4-dione,8-methyl-3-[(phenylamino)methyl]- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 43.86 Å2; (7)Index of Refraction: 1.605; (8)Molar Refractivity: 80.37 cm3; (9)Molar Volume: 233.3 cm3; (10)Polarizability: 31.86×10-24 cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.23 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C1N(C(=O)NC12CCC(CC2)C)CNc3ccccc3
(2)InChI: InChI=1/C16H21N3O2/c1-12-7-9-16(10-8-12)14(20)19(15(21)18-16)11-17-13-5-3-2-4-6-13/h2-6,12,17H,7-11H2,1H3,(H,18,21)
(3)InChIKey: QYPKNFMCEWYBNO-UHFFFAOYAK