1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- supplier

Name
(S)-1-Boc-4-benzylpiperazine-2-carbaldehyde
EINECS
CAS No. 947275-36-7
Article Data2
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₄N₂O₃
Boiling Point 406.1 °C at 760 mmHg
Molecular Weight 304.389
Flash Point 199.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl(2S)-4-benzyl-2-formylpiperazine-1-carboxylate;
PSA
LogP

1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- Specification

The 1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-, with the CAS registry number 947275-36-7, is also known as tert-Butyl-(2S)-4-benzyl-2-formylpiperazin-1-carboxylat. This chemical's molecular formula is C₁₇H₂₄N₂O₃ and molecular weight is 304.38. Its systematic name is called tert-butyl (2S)-4-benzyl-2-formylpiperazine-1-carboxylate.

Physical properties of 1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.37; (4)#H bond acceptors: 5; (5)#Freely Rotating Bonds: 5; (6)Index of Refraction: 1.575; (7)Molar Refractivity: 86.17 cm³; (8)Molar Volume: 260.6 cm³; (9)Surface Tension: 50.9 dyne/cm; (10)Density: 1.167 g/cm³; (11)Flash Point: 199.4 °C; (12)Enthalpy of Vaporization: 65.78 kJ/mol; (13)Boiling Point: 406.1 °C at 760 mmHg; (14)Vapour Pressure: 8.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CC1C=O)Cc2ccccc2
(2)InChI: InChI=1/C17H24N2O3/c1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t15-/m0/s1
(3)InChIKey: BHZMIMWLXCEQDL-HNNXBMFYBH

Product Name

(S)-1-Boc-4-benzylpiperazine-2-carbaldehyde

1-Piperazinecarboxylicacid, 2-formyl-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)- Specification

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