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857283-67-1

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Basic Information
CAS No.: 857283-67-1
Name: 3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HYDROCHLORIDE HYDRATE
Molecular Structure:
Molecular Structure of 857283-67-1 (3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HYDROCHLORIDE HYDRATE)
Formula: C12H18ClNO4
Molecular Weight: 275.73
Synonyms: Benzoicacid, 3-(4-morpholinylmethyl)-, hydrochloride, monohydrate (9CI);3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate;
Melting Point: 247 °C
Boiling Point: 474.1 °C at 760 mmHg
Flash Point: 240.5 °C
Hazard Symbols: IrritantXi
PSA: 59.00000
LogP: 1.89260
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  • Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)

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    Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)

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  • 3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HCLHYDRATE

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    3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HCLHYDRATE

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    3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HCLHYDRATEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

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