Basic information
- CAS
1738-78-9- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.NC(Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
ZLZGBBIPWXUQST-UHFFFAOYSA-N- Molecular formula
- C23H25NO5S
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.14534407
Names & identifiers
- Preferred name
- Benzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonate
- IUPAC
- benzyl 2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acid
- English name
- 3-Phenyl-L-alanine benzyl ester 4-toluenesulphonate
- Molecular formula
- C23H25NO5S
- Molecular weight
- 427.51
Names & synonyms
119290-61-8DL-Phenylalanine benzyl ester 4-toluenesulfonate saltBenzyl 2-amino-3-phenylpropanoate 4-methylbenzenesulfonateDl-phenylalanine-obzl p-tosylateMFCD00035105H-DL-Phe-OBzl p-tosylateL-Phenylalanine benzyl ester p-toluenesulfonate saltbenzyl 2-amino-3-phenylpropanoate;4-methylbenzenesulfonic acidH-PHE-OBZL P-TOSYLATEC23H25NO5SNSC524126O-Benzyl-3-phenyl-L-alanine toluene-4-sulphonate
Show more names
PHE-OBZL TOSH-PHE-OBZL TOSPhe-OBzl·TosOHL-Phe-OBzl·TosH-PHE-OBZL.PTSAH-L-Phe-OBzl*TosH-PHE-OBZL TOS-OHH-L-PHE-OBZL PTSAl-phenylalanine benz
SCHEMBL2590490AKOS015908895NSC-524126AS-13508SY287004DB-047419CS-0187317benzyl phenylalaninate 4-methylbenzenesulfonate
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Melting point
- 170.5 · 170.5-171.5 °C
- storage temp.
- 20 °C · −20°C
- CAS DataBase Reference
- 1738 · 1738-78-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- WGK Germany
- 3 · 3
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers79 total
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
成都傲飞生物化学品有限责任公司+86-028-60911900 13540204019 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海乐聚生物科技有限公司021-56328558 13917766064 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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