Basic information
- CAS
440667-78-7- Standard SMILES
CCOC(=O)C(Cc1cc(N)c(Oc2ccc(OC)cc2)c(N)c1)NC(C)=O- InChIKey
HSPGVWWLMFCIKW-SFHVURJKSA-N- Molecular formula
- C20H25N3O5
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.17942091
Names & identifiers
- Preferred name
- L-Tyrosine, N-acetyl-3,5-diamino-O-(4-methoxyphenyl)-, ethyl ester
- IUPAC
- ethyl 2-acetamido-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate
- English name
- Ethyl 2-(acetylamino)-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoate
- Molecular formula
- C20H25N3O5
- Molecular weight
- 387.43
Names & synonyms
440667-78-7RefChem:798168L-Tyrosine, N-acetyl-3,5-diamino-O-(4-methoxyphenyl)-, ethyl ester815-855-2Ethyl 2-acetamido-3-(3,5-diamino-4-(4-methoxyphenoxy)phenyl)propanoateMLS002694790ETHYL 2-(ACETYLAMINO)-3-[3,5-DIAMINO-4-(4-METHOXYPHENOXY)PHENYL]PROPANOATEethyl 2-acetamido-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]propanoateETHYL 3-[3,5-DIAMINO-4-(4-METHOXYPHENOXY)PHENYL]-2-ACETAMIDOPROPANOATENSC87946CHEMBL1889942HMS3092O11
Show more names
Ethyl 2-(acetylamino)-3-Ac-3,5-diamino-4-(4-methoxyphenoxy)-Phe-OEt3.5-Diamino-O'-Methyl-N-Acetyl-L-Thyronin-Aethylester3,5-Diamino-O'-methyl-N-acetyl-L-thyronine ethyl esterEthyl 2-(acetylamino)-3-[3,5-diamino-4-(4-methoxyphenoxy)phe...2-acetamido-3-[3,5-diamino-4-(4-methoxyphenoxy)phenyl]pentanoate3,5-Diamino-4-(p-methoxyphenoxy)-N-acetyl-L-phenylalanineethylester3,5-Diamino-4-(4-methoxyphenoxy)-N-acetyl-L-phenylalanine ethyl ester
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 586.703 · 586.703±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.302 · 1.302-1.311 at 20.3-20.4℃
- vapor pressure
- 0.004 · 0.004-0.07Pa at 120-150℃
- storage temp.
- 2 · 2-8°C
- pka
- 14.584 · 14.584±0.46(predicted)
- form
- Solid:particulate/powder
- LogP
- 0.912 at · 0.912 at 25℃ and pH5-6
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: L-Tyrosine, N-acetyl-3,5-diamino-O-(4-methoxyphenyl)-, ethyl ester (EC: 815-855-2)
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Suppliers20 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京科富瑞德科技发展有限责任公司010-60279497 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
Hebei Conchain Biotech Co.,Ltd+86-13630830762 +86-13630830762 · [email protected]
浙江泽天精细化工有限公司0571-87682782 18957127338 · [email protected]
宿迁德威化工股份有限公司025-025-58742998 18136843696 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Coresyn Pharmatech Co., Ltd.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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