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| CAS No.: | 135072-15-0 |
|---|---|
| Name: | 4-BENZYL-2-MORPHOLINECARBOXYLIC ACID HYDROCHLORIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C12H15NO3.HCl |
| Molecular Weight: | 257.717 |
| Synonyms: | 2-Morpholinecarboxylicacid, 4-(phenylmethyl)-, hydrochloride (9CI);4-Benzyl-2-morpholinecarboxylicacid hydrochloride; |
| Density: | 1.235g/cm3 |
| Melting Point: | 244 °C |
| Boiling Point: | 372.7 °C at 760 mmHg |
| Flash Point: | 179.2 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36/37/39 |
| PSA: | 49.77000 |
| LogP: | 1.71190 |
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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