Basic information
- CAS
1164-16-5- Standard SMILES
O=C(NC(Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1- InChIKey
MCRMUCXATQAAMN-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- N-[(benzyloxy)carbonyl]-L-tyrosine
- IUPAC
- 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
- English name
- N-benzyloxycarbonyl-DL-tyrosine
- Molecular formula
- C17H17NO5
- Molecular weight
- 315.32
Names & synonyms
EINECS 214-609-6NSC 88488N-((Benzyloxy)carbonyl)-L-tyrosineN-[(benzyloxy)carbonyl]-L-tyrosineRefChem:823166214-609-65618-98-42-{[(BENZYLOXY)CARBONYL]AMINO}-3-(4-HYDROXYPHENYL)PROPANOIC ACIDN-Benzyloxycarbonyl-DL-tyrosine((Benzyloxy)carbonyl)tyrosineZ-L-TyrosineN-[(Phenylmethoxy)carbonyl]tyrosine
Show more names
Tyrosine, N-[(phenylmethoxy)carbonyl]-N-[(Phenylmethoxy)carbonyl]-DL-tyrosine(±)-N-[(Phenylmethoxy)carbonyl]tyrosineN-Methyl-N-benzyloxycarbonyl-L-Phenylalanine, derivative of
Cbz-Tyr-OH2-([(Benzyloxy)carbonyl]amino)-3-(4-hydroxyphenyl)propanoic acid(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acidcbz-dl-tyrosineNSC88488EINECS 227-046-63-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acidNCIOpen2_009885
Database identifiers
- CAS
1164-16-5、5618-98-4- PubChem CID
- 98199
- EC Number
- 214-609-6、227-046-6
- Nikkaji
- J1.459.854E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 570.814 · 570.814±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.966 · 2.966±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
GHS classification
GHS Classification
Not Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 Categories
Not Classified
Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
7 records
Compound notes
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