-
Name
METHYL 6-(1-PYRROLIDINYL)NICOTINATE
- EINECS
- CAS No. 210963-94-3
- Article Data2
- CAS DataBase
- Density 1.177 g/cm3
- Solubility
- Melting Point 119 °C
- Formula C11H14N2O2
- Boiling Point 349.7 °C at 760 mmHg
- Molecular Weight 206.24
- Flash Point 165.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes 20/21/22
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Methyl 6-pyrrolidinonicotinate;methyl 6-(1-pyrrolidinyl)nicotinate;
- PSA 42.43000
- LogP 1.53340
Methyl 6-pyrrolidinonicotinate Specification
This chemical is called Methyl 6-pyrrolidinonicotinate, and its systematic name is methyl 6-pyrrolidin-1-ylpyridine-3-carboxylate. With the molecular formula of C11H14N2O2, its molecular weight is 206.24. The CAS registry number of the chemical is 210963-94-3. Additionally, its product categories are Amines; Blocks; Carboxes; Pyridines.
Other characteristics of Methyl 6-pyrrolidinonicotinate can be summarised as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 10.6; (7)ACD/KOC (pH 5.5): 142.11; (8)ACD/KOC (pH 7.4): 188.43; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 56.32 cm3; (15)Molar Volume: 175 cm3; (16)Polarizability: 22.32×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 165.3 °C; (20)Enthalpy of Vaporization: 59.42 kJ/mol; (21)Boiling Point: 349.7 °C at 760 mmHg; (22)Vapour Pressure: 4.63E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1cnc(cc1)N2CCCC2
2.InChI: InChI=1/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
3.InChIKey: OWOKTZZFJFFUKY-UHFFFAOYAI
4.Std. InChI: InChI=1S/C11H14N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
5.Std. InChIKey: OWOKTZZFJFFUKY-UHFFFAOYSA-N
Related Products
- Methyl (2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionate
- Methyl (2S)-1-(1,2-dioxo-3,3-dimethypentyl)-2-pyrrolidinecarboxylate
- Methyl (2S)-2,3-epoxypropanoate
- Methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
- Methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
- Methyl (2S)-2-amino-2-cyclopentyl-acetate hydrochloride
- Methyl (3R)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate
- Methyl (3R,4S)-1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-3-azetidinepropanoate
- Methyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimido-dithioate
- Methyl (E)-non-3-enoate
- 2109-66-2
- 210978-19-1
- 210992-28-2
- 210992-85-1
- 2110-14-7
- 21101-56-4
- 21101-63-3
- 21102-49-8
- 211029-67-3
- 211033-78-2
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View