tert-Butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate supplier

Name
9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 929302-01-2
Article Data7
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₂₁H₃₂N₂O₂
Boiling Point 443.7 °C at 760 mmHg
Molecular Weight 344.497
Flash Point 222.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester;
PSA 32.78000
LogP 4.17550

tert-Butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate Specification

The tert-Butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate, with the CAS registry number 929302-01-2, is also known as 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-(phenylmethyl)-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₂₁H₃₂N₂O₂ and formula weight is 344.49. What's more, its systematic name is called tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Physical properties of tert-Butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 1.81; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.56; (9)Molar Refractivity: 101.76 cm³; (10)Molar Volume: 314.6 cm³; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.09 g/cm³; (13)Flash Point: 222.1 °C; (14)Enthalpy of Vaporization: 70.14 kJ/mol; (15)Boiling Point: 443.7 °C at 760 mmHg; (16)Vapour Pressure: 4.55E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC2(CCN(CC2)Cc3ccccc3)CC1
(2)InChI: InChI=1/C21H32N2O2/c1-20(2,3)25-19(24)23-15-11-21(12-16-23)9-13-22(14-10-21)17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3
(3)InChIKey: FZQYTCPFYPQYKV-UHFFFAOYAG

Product Name

9-BENZYL-3,9-DIAZA-SPIRO[5.5]UNDECANE-3-CARBOXYLIC ACID TERT-BUTYL ESTER

tert-Butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate Specification

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