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4-Benzyl-2-morpholinecarboxylic acid hydrochloride

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Name

4-Benzyl-2-morpholinecarboxylic acid hydrochloride

EINECS N/A
CAS No. 135072-15-0 Density 1.235g/cm3
PSA 49.77000 LogP 1.71190
Solubility N/A Melting Point 244 °C
Formula C12H15NO3.HCl Boiling Point 372.7 °C at 760 mmHg
Molecular Weight 257.717 Flash Point 179.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 135072-15-0 (4-BENZYL-2-MORPHOLINECARBOXYLIC ACID HYDROCHLORIDE) Hazard Symbols HarmfulXn
Synonyms

2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, hydrochloride (9CI);4-Benzyl-2-morpholinecarboxylicacid hydrochloride;

Article Data 4

4-Benzyl-2-morpholinecarboxylic acid hydrochloride Specification

The 2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, hydrochloride (1:1) is an organic compound with the formula C12H15NO3.HCl. The IUPAC name of this chemical is 4-benzylmorpholine-2-carboxylic acid hydrochloride. With the CAS registry number 135072-15-0, it is also named as Acide 4-benzylmorpholine-2-carboxylique chlorhydrate. The product's categories are Pharmacetical; Carboxylic Acids; Morpholines & Thiomorpholines; Carboxylic Acids; Morpholines & Thiomorpholines.

Physical properties about 2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): -1.55; (3)ACD/LogD (pH 7.4): -1.8; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 38.77 Å2; (12)Flash Point: 179.2 °C; (13)Enthalpy of Vaporization: 65.39 kJ/mol; (14)Boiling Point: 372.7 °C at 760 mmHg; (15)Vapour Pressure: 3.25E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C2OCCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C12H15NO3.ClH/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H
(3)InChIKey: CEDXMALCJZSQHA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H15NO3.ClH/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H
(5)Std. InChIKey: CEDXMALCJZSQHA-UHFFFAOYSA-N

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