1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)- supplier

Name
(R)-N1-BOC-2-(BENZYLOXYMETHYL)PIPERAZINE
EINECS
CAS No. 740806-54-6
Density 1.073 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₆N₂O₃
Boiling Point 406.9 °C at 760 mmHg
Molecular Weight 306.405
Flash Point 199.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (R)-tert-Butyl2-(benzyloxymethyl)piperazine-1-carboxylate;tert-Butyl (R)-2-[(benzyloxy)methyl]piperazine-1-carboxylate;(R)-2-Benzyloxymethyl-1-Boc-piperazine;N1-Boc-2-(benzyloxymethyl)piperazine;(R)-2-(Benzyloxymethyl)piperazine, N1-BOC protected;
PSA 50.80000
LogP 2.67880

1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)- Specification

The 1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)-, with the CAS registry number 740806-54-6, is also known as (R)-2-Benzyloxymethyl-1-Boc-piperazine. It belongs to the product categoryof Pharmacetical. This chemical's molecular formula is C₁₇H₂₆N₂O₃ and molecular weight is 306.4. What's more, its systematic name is tert-butyl (2R)-2-[(benzyloxy)methyl]piperazine-1-carboxylate.

Physical properties of 1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)- are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 24.64; (7)ACD/KOC (pH 5.5): 7.29; (8)ACD/KOC (pH 7.4): 281.46; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.8 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 85.73 cm³; (15)Molar Volume: 285.3 cm³; (16)Polarizability: 33.98×10^-24 cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.073 g/cm³; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 65.87 kJ/mol; (21)Boiling Point: 406.9 °C at 760 mmHg; (22)Vapour Pressure: 7.88E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N2CCNC[C@@H]2COCc1ccccc1
(2)InChI: InChI=1/C17H26N2O3/c1-17(2,3)22-16(20)19-10-9-18-11-15(19)13-21-12-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3/t15-/m1/s1
(3)InChIKey: JCGBMAPLKMXMKO-OAHLLOKOBE

Product Name

(R)-N1-BOC-2-(BENZYLOXYMETHYL)PIPERAZINE

1-Piperazinecarboxylicacid, 2-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, (2R)- Specification

Related Products

Hot Products