Basic Information | Post buying leads | Suppliers |
Name |
tert-Butyl 4-amino-4-cyanopiperidine-1-carboxylate |
EINECS | N/A |
CAS No. | 331281-25-5 | Density | 1.127 g/cm3 |
PSA | 79.35000 | LogP | 1.87658 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H19N3O2 | Boiling Point | 352.852 °C at 760 mmHg |
Molecular Weight | 225.291 | Flash Point | 167.199 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Amino-4-cyanopiperidine-1-carboxylicacid tert-butyl ester; |
The 1-Piperidinecarboxylicacid, 4-amino-4-cyano-, 1,1-dimethylethyl ester, with the CAS registry number 331281-25-5, is also known as 4-Amino-4-cyanopiperidine-1-carboxylic acid tert-butylester. This chemical's molecular formula is C11H19N3O2 and molecular weight is 225.29. What's more, its systematic name is Tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate.
Physical properties about 1-Piperidinecarboxylicacid, 4-amino-4-cyano-, 1,1-dimethylethyl ester: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.83; (8)ACD/KOC (pH 7.4): 31.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 79.35 ?2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 60.25 cm3; (15)Molar Volume: 199.9 cm3; (16)Polarizability: 23.88×10-24 cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 167.2 °C; (20)Enthalpy of Vaporization: 59.77 kJ/mol; (21)Boiling Point: 352.9 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC(N)(CC1)C#N
(2) InChI: InChI=1/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-7,13H2,1-3H3
(3) InChIKey: ZDAOYEIIJSEFSW-UHFFFAOYAF