CAS No.144600-01-1,H-CHA-OME HCL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	144600-01-1
Name:	H-CHA-OME HCL

Formula:	C₁₀H₂₀ClNO₂
Molecular Weight:	221.72
Synonyms:	Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1);
Boiling Point:	288 °C at 760 mmHg
Flash Point:	128 °C
PSA:	52.32000
LogP:	2.95940

Total:16 Page 1 of 1 1

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Specification

Methyl 3-cyclohexylalaninate hydrochloride (1:1) is an organic compound with the formula C₁₀H₂₀ClNO₂, and its systematic name is the same with the product name. With the CAS registry number 144600-01-1, it is also named as Cyclohexanepropanoic acid, α-amino-, methyl ester, hydrochloride (1:1). In addition, the molecular weight is 221.72.

Physical properties of Methyl 3-cyclohexylalaninate hydrochloride (1:1) are: (1)ACD/LogP: 2.106; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.51; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 6.00; (6)ACD/KOC (pH 5.5): 1.69; (7)ACD/KOC (pH 7.4): 85.10; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 52.32 Å²; (12)Flash Point: 128 °C; (13)Enthalpy of Vaporization: 53.78 kJ/mol; (14)Boiling Point: 288 °C at 760 mmHg; (15)Vapour Pressure: 0.00182 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NC(CC1CCCCC1)C(=O)OC
(2)Std. InChI: InChI=1S/C10H19NO2.ClH/c1-13-10(12)9(11)7-8-5-3-2-4-6-8;/h8-9H,2-7,11H2,1H3;1H
(3)Std. InChIKey: YLESODBCBYZUCT-UHFFFAOYSA-N