3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester supplier

Name
1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester
EINECS 200-258-5
CAS No. 252932-48-2
Article Data15
CAS DataBase
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂O₂
Boiling Point 310.927 °C at 760 mmHg
Molecular Weight 154.169
Flash Point 141.844 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-1H-pyrrole-2-carboxylicacid ethyl ester;3-Amino-2-pyrrolecarboxylic acid ethyl ester;
PSA 68.11000
LogP 1.35480

3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester Specification

The CAS register number of 3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester is 252932-48-2. It also can be called as 1H-Pyrrole-2-carboxylicacid, 3-amino-, ethyl ester and the Systematic name about this chemical is Ethyl 3-amino-1H-pyrrole-2-carboxylate. It belongs to product categories of Glycinescaffold; Carboxylicester. In addition, the formula is C₇H₁₀N₂O₂ and the molecular weight is 154.17.

Physical properties about 3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.89; (7)ACD/KOC (pH 5.5): 2.91; (8)ACD/KOC (pH 7.4): 90.46; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 41.32 cm³; (15)Molar Volume: 124.4 cm³; (16)Polarizability: 16.38×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.238 g/cm³; (19)Flash Point: 141.8 °C; (20)Enthalpy of Vaporization: 55.18 kJ/mol; (21)Boiling Point: 310.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000582 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c(N)ccn1
(2)InChI: InChI=1/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
(3)InChIKey: SPNDLEQTZLQLTA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
(5)Std. InChIKey: SPNDLEQTZLQLTA-UHFFFAOYSA-N

Product Name

1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester

3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester Specification

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