Basic information
- CAS
64263-83-8- Standard SMILES
CN(C(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)O- InChIKey
AJGJINVEYVTDNH-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- 2-{[(Tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid
- IUPAC
- 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
- English name
- Boc-N-Methyl-DL-phenylalanine
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
64263-83-82-{[(tert-butoxy)carbonyl](methyl)amino}-3-phenylpropanoic acid2-(((tert-butoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid2-([(tert-Butoxy)carbonyl](methyl)amino)-3-phenylpropanoic acidRefChem:447006822-726-4Boc-N-methyl-DL-phenylalanine2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoic Acid2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acidboc-methyl-dl-phenylalanineSCHEMBL2476924Na-Boc-Na-methyl-L-phenylalanine
Show more names
Boc-DL-N-Me-Phe-OHN-(Tert-butoxycarbonyl)-N-methylphenylalaninePhenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
AJGJINVEYVTDNH-UHFFFAOYSA-NNa-Boc-Na-Methyl-D-phenylalanine2-[tert-butoxycarbonyl(methyl)amino]-3-phenyl-propanoic acidN-BOC-N-methyl-d,I-phenylalanineN-BOC-N-methyl-d,l-phenylalaninePCA26383MFCD00153311AKOS013465575
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 405 · 405.0±34.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
淮北德商生物科技有限公司0561-2337889 13515618601 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
四川鸿日医药科技有限公司1898-2685405 18380436509 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
19 records
Compound notes
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