Basic information
- CAS
20874-31-1- Standard SMILES
CC(=O)NC(Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1- InChIKey
BBXRRTJNJCPGBU-UHFFFAOYSA-N- Molecular formula
- C21H19NO3
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13649347
Overview
Beta-naphthyl N-acetylphenylalaninate is an alpha-amino acid ester obtained by the fromal condensation of N-acetylphenylalanine with 2-naphthol. It is a phenylalanine derivative and an alpha-amino acid ester. It is functionally related to a 2-naphthol.
Names & identifiers
- Preferred name
- Acetyl-DL-phenylalanine beta-naphthyl ester
- IUPAC
- naphthalen-2-yl 2-acetamido-3-phenylpropanoate
- English name
- AC-DL-PHE-BETA-NAPHTHYL ESTER
- Molecular formula
- C21H19NO3
- Molecular weight
- 333.38
Names & synonyms
20874-31-1APNEN-Acetylphenylalanine beta-naphthyl esterDTXSID301274184Acetyl-dl-phenylalanine beta-naphthyl esterRefChem:914982DTXCID801704744N-Acetyl-DL-phenylalanine beta-naphthyl esterAc-DL-Phe-beta-naphthyl esternaphthalen-2-yl 2-acetamido-3-phenylpropanoateN-Acetyl-dl-phenylalanine 2-naphthyl esterDL-APNE
Show more names
Nsc 87855-NaphthylEsterAc-DL-Phe-b-naphthyl esterAc-DL-Phe-β-naphthyl esterACETYL-DL-PHE-BETA-NAPHTHYL ESTERβ-naphthyl N-acetylphenylalaninateN-ACETYL-DL-PHE-ALPHA-NAPHTHYL ESTER
beta-naphthyl N-acetylphenylalaninatenaphthalen-2-yl N-acetylphenylalaninateMLS002694779N-Acetyl-DL-phenylalanine |A-naphthyl esterPhenylalanine,N-acetyl-, 2-naphthalenyl esterMFCD00037746Ac-DL-Phe--naphthyl esterNCIOpen2_009434
Database identifiers
- CAS
20874-31-1- PubChem CID
- 98192
- DTXSID
DTXSID301274184- ChEMBL
CHEMBL1900052- ChEBI
CHEBI:7219- EC Number
- 686-357-9
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 589.8 · 589.8±50.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.57 · 14.57±0.46(Predicted)
- form
- powder
- color
- white
- InChI
- 1S/C21H19NO3/c1-15(23)22-20(13-16-7-3-2-4-8-16)21(24)25-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20H,13H2,1H3,(H,22,23)
- InChIKey
- BBXRRTJNJCPGBU-UHFFFAOYSA-N
- SMILES
- CC(=O)NC(Cc1ccccc1)C(=O)Oc2ccc3ccccc3c2
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H400
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P273-P391-P501
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, 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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H332-H400
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Applications
UsesAcetyl-DL-phenylalanine β-Naphthyl Ester is an aromatic amino acid ester, which functions as a chromogenic substrate for chymotrypsin and microbial serine proteases such as subtilisin.
Suppliers18 total
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]
凯试(上海)科技有限公司021-50135380 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
Aladdin Scientific[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: An alpha-amino acid ester obtained by the fromal condensation of N-acetylphenylalanine with 2-naphthol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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