Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H](Cc1cccc(N)c1)C(=O)O- InChIKey
IZHOFFXTZQKZCS-LLVKDONJSA-N- Molecular formula
- C14H20N2O4
- Average molar mass
- 280.32 g/mol
Names & identifiers
- Preferred name
- (R)-3-(3-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
- IUPAC
- (2R)-3-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- English name
- (R)-3-(3-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
- Molecular formula
- C14H20N2O4
- Molecular weight
- 280.32
Names & synonyms
170157-56-9(R)-3-(3-Aminophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid3-Amino-N-Boc-D-phenylalanine(2R)-3-(3-aminophenyl)-2-{[(tert-butoxy)carbonyl]amino}propanoic acidAS-89032CS-0375701G67324F760416(2R)-3-(3-aminophenyl)-2-(tert-butoxycarbonylamino)propanoic acidD-Phenylalanine, 3-amino-N-[(1,1-dimethylethoxy)carbonyl]-
Database identifiers
- CAS
170157-56-9
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 488.6 · 488.6±40.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
天津星瀚生物科技有限公司13230698506 18698089028 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海恒创生物科技有限公司021-20227858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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