1H-Pyrrole-2-carboxylicacid,1-amino-,methyl ester supplier

Name
1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI)
EINECS
CAS No. 122181-85-5
Article Data11
CAS DataBase
Density 1.26 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 1-amino-1H-pyrrole-2-carboxylate;
PSA 57.25000
LogP 0.56970

1H-Pyrrole-2-carboxylicacid,1-amino-,methyl ester Specification

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.

Product Name

1H-Pyrrole-2-carboxylicacid,1-amino-,methylester(9CI)

1H-Pyrrole-2-carboxylicacid,1-amino-,methyl ester Specification

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