Basic information
- CAS
52031-05-7- Standard SMILES
CCOC(=O)[C@H]([NH3+])Cc1ccc(Cl)cc1- InChIKey
ASDQNFHVGOPSDD-SNVBAGLBSA-O- Molecular formula
- C11H15ClNO2+
- Average molar mass
- 228.69 g/mol
- Monoisotopic mass
- 228.0791314
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-ethoxy-1-oxopropan-2-aminium
- IUPAC
- [(2R)-3-(4-chlorophenyl)-1-ethoxy-1-oxopropan-2-yl]azanium
- English name
- DL-4-Chlorophenylalanine ethyl ester hydrochloride
- Molecular formula
- C11H15Cl2NO2
- Molecular weight
- 264.15
Names & synonyms
DTXSID109663853-(4-Chlorophenyl)-1-ethoxy-1-oxopropan-2-aminium(2R)-3-(4-Chlorophenyl)-1-ethoxy-1-oxopropan-2-aminiumH-Phe(4-Cl)-OEt.HClTIMTEC-BB SBB001014H-DL-PHE(4-CL)-OET HCLH-P-CHLORO-DL-PHE-OET HCL4-CHLORO-DL-PHENYLALANINE ETHYLESTER HCIDL-4-Chlorophenylalanine ethyl ester HCl4-CHLORO-DL-PHENYLALANINE ETHYL ESTER HCL3-(4-Chlorophenyl)-DL-alanineethylesterHCl(±)-4-Chlorophenylalanine ethyl hydrochloride
Show more names
4-Chloro-DL-phenylalanine ethyl hydrochloride
Database identifiers
- CAS
52031-05-7- PubChem CID
- 6927005
- DTXSID
DTXSID10966385
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 203
Physicochemical properties
- Melting point
- 168 · 168-170 °C(lit.)
- Sensitive
- Hygroscopic
- BRN
- 3574655 · 3574655
- CAS DataBase Reference
- 52031 · 52031-05-7(CAS DataBase Reference)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29224985 · 29224985
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
- wgk
- 3
- hs_code
- 29224985
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers31 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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