Basic information
- CAS
3483-82-7- Standard SMILES
CCOC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1- InChIKey
SRLROPAFMUDDRC-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- Ethyl 2-benzamido-3-(4-hydroxyphenyl)propanoate
- IUPAC
- ethyl 2-benzamido-3-(4-hydroxyphenyl)propanoate
- English name
- Ethyl N-benzoyl-L-tyrosinate
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
ethyl 2-benzamido-3-(4-hydroxyphenyl)propanoateethyl 3-(4-hydroxyphenyl)-2-(phenylcarbonylamino)propanoateN-Benzoyl-L-tyrosine ethyl ester (BTEE)N-benzoyl-l-tyrosine ethylesterSCHEMBL3935180SCHEMBL30064651SRLROPAFMUDDRC-UHFFFAOYSA-SBB005989BENZOYL-L-TYROSINE,ETHYL ESTERAKOS003351001AKOS02214372656598-65-3
Show more names
BTEEBZ-TYR-OETBz-L-Tyr-OEtN-BENZOYL-L-TYROSINE ETHYL ESTERBZO-TYR-OETBTEE Bz-Tyr-OEtBZ-TYROSINE-OETBENZOYL-TYR-OETBZ-TYR-OET, BTEEEthyl benzoyltyrosinate
ST013869Ethyl 2-(benzoylamino)-3-(4-hydroxyphenyl)propanoateInChI=1/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)
Database identifiers
- CAS
3483-82-7、56598-65-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Melting point
- 118 · 118-121 °C(lit.)
- alpha
- -24 · -24 º (c=1, EtOH)
- Boiling point
- 453.15 °C · 453.15°C (rough estimate)
- Density
- 1.2389 · 1.2389 (rough estimate)
- refractive index
- -29 ° · -29 ° (C=1, EtOH)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- almost transparency in Methanol
- form
- Powder
- pka
- 9.75 · 9.75±0.15(Predicted)
- color
- White to slightly yellow
- optical activity
- 20 · [α]20/D 26±3°, c = 1% in ethanol
- BRN
- 2223819 · 2223819
- InChI
- 1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
- InChIKey
- SRLROPAFMUDDRC-INIZCTEOSA-N
- SMILES
- CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c2ccccc2
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H314
- Precautionary statements
- P264b-P271-P280-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P403+P233-P501c
Chemistry & industry
Applications
UsesN-Benzoyl-L-tyrosine ethyl ester is a synthetic substrate used to study IMER systems.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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