Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-carboxylicacid,1-amino-,methyl ester |
EINECS | N/A |
CAS No. | 122181-85-5 | Density | 1.26 g/cm3 |
PSA | 57.25000 | LogP | 0.56970 |
Solubility | N/A | Melting Point |
43-44 °C |
Formula | C6H8N2O2 | Boiling Point | 272.3 °C at 760 mmHg |
Molecular Weight | 140.142 | Flash Point | 118.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 1-amino-1H-pyrrole-2-carboxylate; |
Article Data | 11 |
The CAS register number of 1H-Pyrrole-2-carboxylicacid, 1-amino-, methyl ester is 122181-85-5. It also can be called as Methyl 1-amino-1H-pyrrole-2-carboxylate. The molecular formula about this chemical is C6H8N2O2 and the molecular weight is 140.1399. It belongs to the following product categories, such as Aminoacid; Carboxylicester and so on.
Physical properties about 1H-Pyrrole-2-carboxylicacid, 1-amino-, methyl ester are: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): 0.59; (3)ACD/LogD (pH 7.4): 0.59; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 57.25Å2; (8)Index of Refraction: 1.554; (9)Molar Refractivity: 35.57 cm3; (10)Molar Volume: 110.9 cm3; (11)Polarizability: 14.1x10-24cm3; (12)Surface Tension: 46.5 dyne/cm; (13)Enthalpy of Vaporization: 51.06 kJ/mol; (14)Boiling Point: 272.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00613 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cccn1N;
(2)InChI: InChI=1/C6H8N2O2/c1-10-6(9)5-3-2-4-8(5)7/h2-4H,7H2,1H3;
(3)InChIKey: OGSXCPFDMJGEDQ-UHFFFAOYAN.