β-Alanine, N-2-pyridinyl-, methylester supplier

Name
METHYL 3-(PYRIDIN-2-YLAMINO)PROPANOATE
EINECS
CAS No. 55364-85-7
Density 1.161g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₂
Boiling Point 325.2 °C at 760 mmHg
Molecular Weight 180.206
Flash Point 150.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, N-2-pyridyl-, methylester (6CI);
PSA 51.22000
LogP 1.12960

β-Alanine, N-2-pyridinyl-, methylester Specification

The β-Alanine, N-2-pyridinyl-, methylester, with CAS registry number 55364-85-7, has the systematic name of methyl N-pyridin-2-yl-beta-alaninate. Besides this, it is also called Methyl 3-(pyridin-2-ylamino)propanoate. And the chemical formula of this chemical is C₉H₁₂N₂O₂.

Physical properties of β-Alanine, N-2-pyridinyl-, methylester: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 1.11; (6)ACD/BCF (pH 7.4): 3.48; (7)ACD/KOC (pH 5.5): 26.91; (8)ACD/KOC (pH 7.4): 84.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 49.62 cm³; (15)Molar Volume: 155.1 cm³; (16)Polarizability: 19.67×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 150.5 °C; (20)Enthalpy of Vaporization: 56.73 kJ/mol; (21)Boiling Point: 325.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000233 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCNc1ncccc1
(2)InChI: InChI=1/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
(3)InChIKey: CKZDJCJSSSCYFN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
(5)Std. InChIKey: CKZDJCJSSSCYFN-UHFFFAOYSA-N

Product Name

METHYL 3-(PYRIDIN-2-YLAMINO)PROPANOATE

β-Alanine, N-2-pyridinyl-, methylester Specification

Related Products

Hot Products