Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-isopropylpiperidine-4-carboxylic acid |
EINECS | N/A |
CAS No. | 280771-97-3 | Density | 1.057 g/cm3 |
PSA | 40.54000 | LogP | 1.12930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO2 | Boiling Point | 271.6 °C at 760 mmHg |
Molecular Weight | 171.239 | Flash Point | 118.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(1-Methylethyl)-4-piperidinecarboxylicacid;1-Isopropylpiperidine-4-carboxylic acid; |
Article Data | 7 |
The 4-Piperidinecarboxylicacid, 1-(1-methylethyl)-, with the CAS registry number 280771-97-3, is also known as 1-Isopropylpiperidine-4-carboxylic acid. Its molecular formula is C9H17NO2 and its molecular weight is 171.24. Additionally, it has the systematic name 1-(1-methylethyl)piperidine-4-carboxylic acid. The product category of this chemical is Isopropyl.
Other characteristics of the 4-Piperidinecarboxylicacid, 1-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.32; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.057 g/cm3; (19)Flash Point: 118.1 °C; (20)Enthalpy of Vaporization: 56.11 kJ/mol; (21)Boiling Point: 271.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00179 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1CCN(C(C)C)CC1
2.InChI: InChI=1/C9H17NO2/c1-7(2)10-5-3-8(4-6-10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
3.InChIKey: QDOQCOOUTPQMKW-UHFFFAOYAY