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CAS No.: 212322-56-0
Name: 3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER
Article Data: 20
Molecular Structure:
Molecular Structure of 212322-56-0 (3-[(3-AMINO-4-METHYLAMINO-BENZOYL)-PYRIDIN-2-YL-AMINO]-PROPIONIC ACID ETHYL ESTER)
Formula: C18H22N4O3
Molecular Weight: 342.398
Synonyms: Ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate;beta-Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester;
EINECS: 606-728-0
Density: 1.262 g/cm3
Melting Point: 104.0 to 108.0 °C
Boiling Point: 576.155 °C at 760 mmHg
Flash Point: 302.248 °C
PSA: 97.55000
LogP: 2.95970
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Chemistry

Following is the structure of 3-[(3-amino-4-methylamino-benzoyl)pyridin-2-yl-amino]-propionic acid ethyl ester (CAS NO.212322-56-0):
                         
Empirical Formula: C18H22N4O3
Molecular Weight: 342.3923
Index of Refraction: 1.64
Molar Refractivity: 97.776 cm3
Molar Volume: 271.309 cm3
Density: 1.262 g/cm3
Flash Point: 302.248 °C
Polarizability: 38.761 10-24cm3
Surface Tension: 59.265 dyne/cm
Enthalpy of Vaporization: 86.281 kJ/mol
Boiling Point of 3-[(3-amino-4-methylamino-benzoyl)pyridin-2-yl-amino]-propionic acid ethyl ester (CAS NO.212322-56-0): 576.155 °C at 760 mmHg
SMILES: O=C(N(c1ncccc1)CCC(=O)OCC)c2ccc(NC)c(N)c2
InChI: InChI=1/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3
InChIKey: PCPATNZTKBOKOY-UHFFFAOYAQ

Specification

 3-[(3-amino-4-methylamino-benzoyl)pyridin-2-yl-amino]-propionic acid ethyl ester , its cas register number 212322-56-0. It also can be called beta-Alanine, N-[3-amino-4-(methylamino)benzoyl]-N-2-pyridinyl-, ethyl ester ; and Ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate .

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