Benzoicacid, 4-(4-morpholinylmethyl)- supplier

Name
4-(MORPHOLINOMETHYL)BENZOIC ACID
EINECS 676-819-8
CAS No. 62642-62-0
Article Data11
CAS DataBase
Density 1.233 g/cm³
Solubility
Melting Point 179-183 °C
Formula C₁₂H₁₅NO₃
Boiling Point 369.8 °C at 760 mmHg
Molecular Weight 221.256
Flash Point 177.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 4-(Morpholin-4-ylmethyl)benzoicacid;4-(Morpholinomethyl)benzoic acid;4-Morpholin-4-ylmethylbenzoic acid;
PSA 49.77000
LogP 1.15490

Benzoicacid, 4-(4-morpholinylmethyl)- Specification

The Benzoicacid, 4-(4-morpholinylmethyl)-, with the CAS registry number of 62642-62-0, is also known as AKOS BB-9472 and 4-Morpholin-4-ylmethylbenzoic acid. This chemical's molecular formula is C₁₂H₁₅NO₃ and molecular weight is 221.25. What's more, its IUPAC name is 4-(Morpholin-4-ium-4-ylmethyl)benzoate. In addition, it should be stored in dry, cool, airtight place. And avoid contact with oxidant, otherwise it would decompose.

Physical properties about are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.77 Å²; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 59.71 cm³; (13)Molar Volume: 179.3 cm³; (14)Polarizability: 23.67×10^-24 cm³; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.233 g/cm³; (17)Flash Point: 177.4 °C; (18)Enthalpy of Vaporization: 65.05 kJ/mol; (19)Boiling Point: 369.8 °C at 760 mmHg; (20)Melting Point: 179-183 °C; (21)Vapour Pressure: 4.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(cc1)CN2CCOCC2
(2) InChI: InChI=1/C12H15NO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
(3) InChIKey: QYBXZYYECZFQRX-UHFFFAOYAK

Product Name

4-(MORPHOLINOMETHYL)BENZOIC ACID

Benzoicacid, 4-(4-morpholinylmethyl)- Specification

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