2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (2S)- supplier

Name
(S)-(-)-2-T-BUTYL-2-PIPERAZINECARBOXAMIDE
EINECS
CAS No. 166941-47-5
Article Data1
CAS DataBase
Density 0.985 g/cm³
Solubility
Melting Point
Formula C₉H₁₉N₃O
Boiling Point 368.204 °C at 760 mmHg
Molecular Weight 185.269
Flash Point 156.12 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (S)-;(S)-(-)-N-tert-Butyl-2-piperazinecarboxamide;(S)-2-(tert-Butylcarboxamido)piperazine;(S)-N-tert-Butyl-2-piperazinecarboxamide;
PSA 53.16000
LogP 0.51100

2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (2S)- Specification

The 2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (2S)-, with its CAS registry number 166941-47-5, has its systematic name of (2R)-N-tert-butylpiperazine-2-carboxamide. With its molecular formula of C₉H₁₉N₃O and molecular weight of 185.27, it belongs to the product category of Piperide.

Physical properties of 2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (2S)-: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.16 Å²; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 51.808 cm³; (13)Molar Volume: 188.155 cm³; (14)Polarizability: 20.538×10^-24cm³; (15)Surface Tension: 31.311 dyne/cm; (16)Density: 0.985 g/cm³; (17)Flash Point: 156.12 °C; (18)Enthalpy of Vaporization: 61.483 kJ/mol; (19)Boiling Point: 368.204 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(NC(C)(C)C)[C@@H]1NCCNC1
(2)InChI:InChI=1/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
(3)InChIKey:OEZDMLLCIUSINT-SSDOTTSWBJ

Product Name

(S)-(-)-2-T-BUTYL-2-PIPERAZINECARBOXAMIDE

2-Piperazinecarboxamide,N-(1,1-dimethylethyl)-, (2S)- Specification

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