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Cas Database |
| Name |
1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, 1,1-dimethylethyl ester |
EINECS | N/A |
| CAS No. | 373608-48-1 | Density | 1.042 g/cm3 |
| PSA | 58.80000 | LogP | 1.46400 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H25N3O2 | Boiling Point | 339.6 °C at 760 mmHg |
| Molecular Weight | 243.349 | Flash Point | 159.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(3-Aminopropyl)piperazine-1-carboxylicacid tert-butyl ester;N-(3-Aminopropyl)-N'-(tert-butoxycarbonyl)piperazine;tert-Butyl 4-(3-aminopropyl)piperazine-1-carboxylate;tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate;4-(3-Amino-propyl)-piperazine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(3-aminopropyl)piperazine-1-carboxylate;1-Boc-4-(3-aminopropyl)piperazine; |
Article Data | 10 |
1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, 1,1-dimethylethyl ester Specification
The 1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, 1,1-dimethylethyl ester, with the CAS registry number 373608-48-1, has the systematic name and IUPAC name of tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C12H25N3O2.
The characteristics of 1-Piperazinecarboxylicacid, 4-(3-aminopropyl)-, 1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 0.54; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 58.8 Å2; (11)Index of Refraction: 1.493; (12)Molar Refractivity: 67.88 cm3; (13)Molar Volume: 233.5 cm3; (14)Polarizability: 26.91×10-24cm3; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.042 g/cm3; (17)Flash Point: 159.2 °C; (18)Enthalpy of Vaporization: 58.31 kJ/mol; (19)Boiling Point: 339.6 °C at 760 mmHg; (20)Vapour Pressure: 9.1E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCN(CCCN)CC1
(2)InChI: InChI=1/C12H25N3O2/c1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-4-5-13/h4-10,13H2,1-3H3
(3)InChIKey: DQLCYLFCLQPLSY-UHFFFAOYAQ
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