CAS No.81270-37-3,PIPERIDIN-4-YL-ACETIC ACID METHYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81270-37-3
Name:	PIPERIDIN-4-YL-ACETIC ACID METHYL ESTER HYDROCHLORIDE
Article Data:	4

Formula:	C₈H₁₅NO₂^.HCl
Molecular Weight:	193.674
Synonyms:	4-Piperidineaceticacid, methyl ester, hydrochloride (9CI);Methyl 2-(piperidin-4-yl)acetate hydrochloride;Methyl 4-piperidineacetate hydrochloride;
Melting Point:	155 °C
Boiling Point:	253 °C at 760 mmHg
Flash Point:	106.8 °C
Solubility:	Soluble in water
Risk Codes:	36/37/38
Safety:	26-36
PSA:	38.33000
LogP:	1.67990

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Specification

The Methyl (4-piperidyl)acetate hydrochloride is an organic compound with the formula C₈H₁₅NO₂^.HCl. The systematic name of this chemical is methyl piperidin-4-ylacetate hydrochloride (1:1). With the CAS registry number 81270-37-3, it is also named as Piperidin-4-ylacetic acid methyl ester hydrochloride. In addition, the molecular weight is 193.67.

The other characteristics of Methyl (4-piperidyl)acetate hydrochloride can be summarized as: (1)ACD/LogP: 0.65 ; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å²; (11)Flash Point: 106.8 °C; (12)Enthalpy of Vaporization: 50.03 kJ/mol; (13)Boiling Point: 253 °C at 760 mmHg; (14)Vapour Pressure: 0.0148 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.O=C(CC1CCNCC1)OC
2. InChI:InChI=1/C8H15NO2.ClH/c1-11-8(10)6-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3;1H
3. InChIKey:ADBDFGZYGJGDNJ-UHFFFAOYAS
4. Std. InChI:InChI=1S/C8H15NO2.ClH/c1-11-8(10)6-7-2-4-9-5-3-7;/h7,9H,2-6H2,1H3;1H
5. Std. InChIKey:ADBDFGZYGJGDNJ-UHFFFAOYSA-N