Home> Encyclopedia > / Agrochemicals & Pesticides / Pharmaceutical / Pharmaceutical Intermediates / Pharmaceuticals and Biochemicals / Others

4-(3-ethoxy-2-methyl-3-oxopropyl)morpholin-4-ium structure

4-(3-ethoxy-2-methyl-3-oxopropyl)morpholin-4-ium structure

4-(3-ethoxy-2-methyl-3-oxopropyl)morpholin-4-ium

Iupac Name：2-[[3-methyl-4-(2,2,
2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole

CAS No.：103577-45-3

Molecular Weight：369.36147

Request For Quotation

1. Names and Identifiers

1.1 Name: 4-(3-ethoxy-2-methyl-3-oxopropyl)morpholin-4-ium
1.2 Synonyms: 6814-72-8 AC1NR66C AG-G-60446 AKOS030240405 CTK5C7407 DTXSID40412103 Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate ethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate

1.3 CAS No.: 103577-45-3

1.4 CID: 3883

1.5 Molecular Formula: C₄H₁₃N₃· (isomer)

1.6 Inchi: InChI=1/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)

1.7 InChkey: MJIHNNLFOKEZEW-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

1.9 Isomers Smiles: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F

2. 3D Conformer

3. Properties

3.1 Melting Point: 178-182oC.

3.2 Boiling Point: °Cat760mmHg

3.3 Vapour: 2.55E-10mmHg at 25°C

3.4 Refractive Index: 1.591

3.5 Flash Point: 434.8°C

4. Safety and Handling

4.1 Risk Statements: R36/37/38

4.2 Safety Statements: S26;S36

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data

Molecular Weight：369.36147g/mol
Molecular Formula：C_₄H_₁₃N_₃·
XLogP3-AA：2.8
Exact Mass：369.075882
Monoisotopic Mass：369.075882
Complexity：480
Rotatable Bond Count：5
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：7
Topological Polar Surface Area：87.1
Heavy Atom Count：25
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

7. Similar Structures Products

8. Recommended Suppliers

Global424SuppliersView all >>

Amitychem Corporation Diamond member

Diamond member

1YR

Audited Suppliers

Manufacturer

Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
Tel:86-592-8883942
Email:sale@amitychem.com

Factory Supply Lansoprazole

Purity:99%Packing: 200kg/bag FOB
Price: 0.1 USD/Kilogram
Time: 2021/08/29

Inquire

hebei crovell biotech co. ltd Diamond member

Diamond member

1YR

Audited Suppliers

Manufacturer

Products:Cosmetic Raw Materials,solvents,etc.
Tel:86-311-66562153
Email:breeduan@crovellbio.com

lansoprazole Cas 103577-45-3 from China

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/Kilogram
Time: 2021/06/25

Inquire

HBminshang Biotechnology Ltd.,Co. Diamond member

Diamond member

1YR

Audited Suppliers

Manufacturer

Products:Pharmaceutical intermediates. Active pharmaceutical ingredients
Tel:1813264-9059-18132649059
Email:monica@hbminshang.cn

Manufacturer supply Lansoprazole CAS 103577-45-3 of EP stand

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/Kilogram
Time: 2021/05/18

Inquire

Hebei Yanxi Chemical Co.,Ltd Diamond member

Diamond member

3YRS

Audited Suppliers

Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
Tel:86-311-66561638
Email:xing@yan-xi.com

Lansoprazole Pharmaceutical Raw Materials Stomach Medication CAS 103577-45-3

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/Kilogram
Time: 2021/01/29

Inquire

Wuhan Fortuna Chemical Co., Ltd. Diamond member

Diamond member

8YRS

Audited Suppliers

Manufacturer

Products:API
Tel:0086-27-59207850
Email:info@fortunachem.com

Manufacturer supply Lansoprazole CAS 103577-45-3 of EP standard

Purity:99%Packing: 200kg/bag FOB
Price: 350 USD/Kilogram
Time: 2020/01/07

Inquire

Directory

1. Names and Identifiers

1.5 Molecular Formula

1.8 Canonical Smiles

1.9 Isomers Smiles

3. Properties

3.1 Melting Point

3.2 Boiling Point

3.4 Refractive Index

3.5 Flash Point

4. Safety and Handling

4.1 Risk Statements

4.2 Safety Statements

7.Synthesis Route

8.Computational chemical data

9.Similar Structures Products

10.Recommended Suppliers