Basic information
- CAS
134599-45-4- Standard SMILES
O=C(O)c1ccc(OCCN2CCOCC2)cc1- InChIKey
MTTBXKVGISPBNJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
- IUPAC
- 4-(2-morpholin-4-ylethoxy)benzoic acid
- English name
- 4-(2-Morpholin-4-yl-ethoxy)-benzoic acid
- Molecular formula
- C13H17NO4
- Molecular weight
- 251.28
Names & synonyms
134599-45-44-(2-Morpholin-4-yl-ethoxy)-benzoic acid4-(2-Morpholinoethoxy)benzoic acid4-(2-morpholin-4-ylethoxy)benzoic acid4-[2-(morpholin-4-yl)ethoxy]benzoic acidMFCD067972404-(2-Morpholin-4-yl-ethoxy)benzoic acid4-[2-(4-Morpholinyl)ethoxy]benzoic acid4-(2-Morpholinoethoxy)benzoicacidSCHEMBL991354AKOS BC-2085DTXSID10424713
Show more names
Benzoic acid, 4-[2-(4-morpholinyl)ethoxy]-4-(2-Morpholin-4-yl-ethoxy)-benzoic acid ,97%
MTTBXKVGISPBNJ-UHFFFAOYSA-Np-(2-morpholinoethoxy)benzoic acidBBL012628SBB052757STK744311AKOS000103056SY063104TS-00789
Database identifiers
- CAS
134599-45-4- PubChem CID
- 6504232
- DTXSID
DTXSID10424713
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 428 · 428.0±35.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.36 · 4.36±0.10(Predicted)
- Appearance
- colorless liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41-20/22
- Safety Statements
- 26 · 26-39-36/37
- HazardClass
- IRRITANT
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29349990
- risk_code
- 41-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39-36/37
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海拓目化工有限公司13391076197 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
Related reactions
8 records
Compound notes
Loading…