Products Categories
CAS No.: | 252932-48-2 |
---|---|
Name: | 1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H10N2O2 |
Molecular Weight: | 154.169 |
Synonyms: | 3-Amino-1H-pyrrole-2-carboxylicacid ethyl ester;3-Amino-2-pyrrolecarboxylic acid ethyl ester; |
EINECS: | 200-258-5 |
Density: | 1.239 g/cm3 |
Boiling Point: | 310.927 °C at 760 mmHg |
Flash Point: | 141.844 °C |
PSA: | 68.11000 |
LogP: | 1.35480 |
What can I do for you?
Get Best Price
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