Basic information
- CAS
168892-66-8- Standard SMILES
CC(C)(C)OC(=O)NCCOc1ccc(C(=O)O)cc1- InChIKey
COIQSXDNBXSYMY-UHFFFAOYSA-N- Molecular formula
- C14H19NO5
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12632271
Names & identifiers
- Preferred name
- 4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid
- IUPAC
- 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic acid
- English name
- 4-(2-TERT-BUTOXYCARBONYLAMINO-ETHOXY)-BENZOIC ACID
- Molecular formula
- C14H19NO5
- Molecular weight
- 281.3
Names & synonyms
168892-66-84-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoic acid4-(2-tert-Butoxycarbonylamino-ethoxy)-benzoic acid4-[2-(Boc-amino)ethyloxy]benzoic acidMFCD04112670Benzoic acid,4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-4-[2-(Boc-amino)ethoxy]-benzoic acid4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoic Acid4-{2-[(tert-butoxycarbonyl)amino]ethoxy}benzoic acid4-[2-(Boc-amino)ethyloxy]-benzoic acid4-(2-(tert-butoxycarbonylamino)ethoxy)benzoic acid4-[2-(tert-butoxycarbonylamino)ethoxy]benzoic acid
Show more names
4-(2-((tert-Butoxycarbonyl)amino)ethoxy)benzoicacidSCHEMBL1606333DTXSID40373184COIQSXDNBXSYMY-UHFFFAOYSA-NBenzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-4-[2-(Boc-amino)ethoxy]benzoic AcidAKOS0158368204-(2-tert-Butoxycarbonylamino-ethoxy)-be
Database identifiers
- CAS
168892-66-8- PubChem CID
- 2755997
- DTXSID
DTXSID40373184- EC Number
- 154-397-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
- HS Code
- 29225090 · 29225090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29225090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers22 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海睿升化工科技有限公司15026594951 · [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]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Related reactions
6 records
Compound notes
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