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1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester

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Name

1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester

EINECS N/A
CAS No. 92992-17-1 Density 1.44 g/cm3
PSA 68.53000 LogP 0.84660
Solubility N/A Melting Point N/A
Formula C10H11NO4 Boiling Point 356.5 °C at 760 mmHg
Molecular Weight 209.1986 Flash Point 169.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 92992-17-1 (7-(methoxycarbonyl)-6,7-dihydro-5-Hpyrrolizine-1-carboxylic acid) Hazard Symbols N/A
Synonyms

1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester, (?à)-;1-(methoxycarbonyl)-2,3-dihydro-1H-pyrrolizine-7-carboxylic acid;7-(Methoxycarbonyl)-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;

 

1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester Specification

The 1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester, with the CAS registry number 92992-17-1, has the systematic name of 1-(methoxycarbonyl)-2,3-dihydro-1H-pyrrolizine-7-carboxylic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H11NO4.

The characteristics of 1H-Pyrrolizine-1,7-dicarboxylicacid, 2,3-dihydro-, 1-methyl ester are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 4.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 85.69; (8)ACD/KOC (pH 7.4): 2.09; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.53 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 51.24 cm3; (15)Molar Volume: 144.8 cm3; (16)Polarizability: 20.31×10-24cm3; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 63.5 kJ/mol; (21)Boiling Point: 356.5 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)c1ccn2CCC(C(=O)OC)c12
(2)InChI: InChI=1/C10H11NO4/c1-15-10(14)7-3-5-11-4-2-6(8(7)11)9(12)13/h2,4,7H,3,5H2,1H3,(H,12,13)
(3)InChIKey: CVBXYEQRFRJNQS-UHFFFAOYAJ

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