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