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Name |
Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) |
EINECS | N/A |
CAS No. | 857283-67-1 | Density | N/A |
PSA | 59.00000 | LogP | 1.89260 |
Solubility | N/A | Melting Point |
247 °C |
Formula | C12H18ClNO4 | Boiling Point | 474.1 °C at 760 mmHg |
Molecular Weight | 275.73 | Flash Point | 240.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzoicacid, 3-(4-morpholinylmethyl)-, hydrochloride, monohydrate (9CI);3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate; |
The Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1), with the CAS registry number 857283-67-1, is also known as Benzoicacid, 3-(4-morpholinylmethyl)-, hydrochloride, monohydrate (9CI). This chemical's molecular formula is C12H18ClNO4 and molecular weight is 275.73. What's more, its systematic name is 3-(morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate.
Physical properties of Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 49.77 Å2; (6)Flash Point: 240.5 °C; (7)Enthalpy of Vaporization: 77.68 kJ/mol; (8)Boiling Point: 474.1 °C at 760 mmHg; (9)Vapour Pressure: 8.53E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O.OC(=O)c1cc(ccc1)CN2CCOCC2
(2)InChI: InChI=1S/C12H15NO3.ClH.H2O/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13;;/h1-3,8H,4-7,9H2,(H,14,15);1H;1H2
(3)InChIKey: SQUUPVRIGKRWHH-UHFFFAOYSA-N