CAS No.13048-99-2,GLYCINE N-BUTYL ESTER HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13048-99-2
Name:	GLYCINE N-BUTYL ESTER HYDROCHLORIDE
Article Data:	4

Formula:	C₆H₁₄ClNO₂
Molecular Weight:	167.636
Synonyms:	Glycine,butyl ester, hydrochloride (7CI,8CI,9CI);2-Butoxy-2-oxoethanaminium chloride;Butyl glycinate hydrochloride;
EINECS:	235-924-5
Density:	0.973g/cm³
Melting Point:	64-66°C
Boiling Point:	159.1 °C at 760 mmHg
Flash Point:	33.3 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	52.32000
LogP:	1.79070

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Specification

The Glycine, butyl ester,hydrochloride (1:1), with CAS registry number 13048-99-2, has the systematic name of butyl glycinate hydrochloride (1:1). Besides this, it is also called Glycine n-butyl ester hydrochloride. And the chemical formula of this chemical is C₆H₁₄ClNO₂. What's more, its EINECS is 235-924-5.

Physical properties of Glycine, butyl ester,hydrochloride (1:1): (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.2; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 33.11; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Flash Point: 33.3 °C; (14)Enthalpy of Vaporization: 39.57 kJ/mol; (15)Boiling Point: 159.1 °C at 760 mmHg; (16)Vapour Pressure: 2.55 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Glycine, butyl ester,hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCCCC)CN
(2)InChI: InChI=1/C6H13NO2.ClH/c1-2-3-4-9-6(8)5-7;/h2-5,7H2,1H3;1H
(3)InChIKey: ZPWHHLDCVYWJJO-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H13NO2.ClH/c1-2-3-4-9-6(8)5-7;/h2-5,7H2,1H3;1H
(5)Std. InChIKey: ZPWHHLDCVYWJJO-UHFFFAOYSA-N