CAS No.197088-84-9,(R)-2-AMINO-3-PYRIDIN-3-YL-PROPIONIC ACID METHYL ESTER 2 HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	197088-84-9
Name:	(R)-2-AMINO-3-PYRIDIN-3-YL-PROPIONIC ACID METHYL ESTER 2 HCL

Formula:	C₉H₁₄Cl₂N₂O₂
Molecular Weight:	216.667
Synonyms:	Methyl 3-pyridin-3-yl-D-alaninate dihydrochloride;
EINECS:	125-856-9
Boiling Point:	291.5 °C at 760 mmHg
Flash Point:	130.1 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	65.21000
LogP:	2.42870

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Specification

The 3-Pyridinepropanoicacid, a-amino-, methyl ester,hydrochloride (1:2), (aR)-, with the CAS registry number 197088-84-9, is also known as Methyl 3-pyridin-3-yl-D-alaninate dihydrochloride. This chemical's molecular formula is C₉H₁₄Cl₂N₂O₂and molecular weight is 253.1257. What's more, its systematic name is called Methyl 3-pyridin-3-yl-D-alaninate dihydrochloride.

Physical properties about 3-Pyridinepropanoicacid, a-amino-, methyl ester,hydrochloride (1:2), (aR)- are: (1)ACD/LogP: -0.23; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.25; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.69; (8)ACD/KOC (pH 7.4): 16.19; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 42.43Å²; (13)Flash Point: 130.1 °C; (14)Enthalpy of Vaporization: 53.09 kJ/mol; (15)Boiling Point: 291.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O=C(OC)[C@H](N)Cc1cccnc1
(2) InChI: InChI=1/C9H12N2O2.2ClH/c1-13-9(12)8(10)5-7-3-2-4-11-6-7;;/h2-4,6,8H,5,10H2,1H3;2*1H/t8-;;/m1../s1
(3) InChIKey: XNSHHLGNMODFNC-YCBDHFTFBL