2,7-Diazaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester supplier

Name
2,7-DIAZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 236406-49-8
Density 1.089 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂N₂O₂
Boiling Point 319.425 °C at 760 mmHg
Molecular Weight 226.32
Flash Point 146.983 °C
Transport Information
Appearance
Safety 7-16
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms 2-Methyl-2-propanyl 2,7-diazaspiro[4.4]nonane-2-carboxylate;
PSA 41.57000
LogP 1.87360

2,7-Diazaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester Specification

The 2,7-Diazaspiro[4.4]nonane-2-carboxylicacid, 1,1-dimethylethyl ester, with the CAS registry number 236406-49-8, is also known as 2-Methyl-2-propanyl 2,7-diazaspiro[4.4]nonane-2-carboxylate. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₂₂N₂O₂ and molecular weight is 226.32. What's more, its IUPAC name is called tert-Butyl 2,7-diazaspiro[4.4]nonane-2-carboxylate.

Physical properties about 2,7-Diazaspiro[4.4]nonane-2-carboxylicacid, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.021; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.08; (4)ACD/LogD (pH 7.4): -1.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 62.927 cm³; (15)Molar Volume: 207.747 cm³; (16)Polarizability: 24.946×10^-24cm³; (17)Surface Tension: 40.565 dyne/cm; (18)Density: 1.089 g/cm³; (19)Flash Point: 146.983 °C; (20)Enthalpy of Vaporization: 56.101 kJ/mol; (21)Boiling Point: 319.425 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC2(C1)CCNC2
(2) InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-7-5-12(9-14)4-6-13-8-12/h13H,4-9H2,1-3H3
(3) InChIKey: HPPARSNAMZJAPZ-UHFFFAOYSA-N

Product Name

2,7-DIAZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER

2,7-Diazaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester Specification

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