Mls002706796
Basic information
- CAS
13574-81-7- Standard SMILES
O=C(CNC(=O)OCc1ccccc1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
VJPZTTLCVFONEM-UHFFFAOYSA-N- Molecular formula
- C18H17N3O7
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 387.10664989
Names & identifiers
- Preferred name
- Mls002706796
- IUPAC
- (4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
- English name
- Z-Gly-Gly-ONp
- Molecular formula
- C18H17N3O7
- Molecular weight
- 387.34
Names & synonyms
13574-81-7MLS002706796DTXSID90297841Z-Gly-Gly p-nitrophenyl esterRefChem:819049DTXCID30248978622-522-3Z-Gly-Gly-ONP4-nitrophenyl n-[(benzyloxy)carbonyl]glycylglycinate4-Nitrophenyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetateMFCD00038126
Show more names
N-CBZ-GLY-GLY P-NITROPHENYL ESTERZ-GLYCYL-GLYCINE P-NITROPHENYL ESTERZ-GLYCYL-GLYCINE 4-NITROPHENYL ESTERN-Cbz-glycylglycine 4-nitrophenyl esterN-carbobenzyloxy-Gly-Gly p-nitrophenyl esterN-CARBOBENZOXY-GLYCYLGLYCINE-P-NITROPHENYL ESTERGlycine, N-[(phenylmethoxy)carbonyl]glycyl-, 4-nitrophenyl ester
N-Cbz-glycylglycine p-nitrophenyl esterCbz-Gly-Gly-ONpNSC118445CHEMBL1873285VJPZTTLCVFONEM-UHFFFAOYSA-NGlycine, N-[N-[(phenylmethoxy)carbonyl]glycyl]-, 4-nitrophenyl esterAKOS024374922NSC-118445
Database identifiers
- CAS
13574-81-7- PubChem CID
- 273306
- DTXSID
DTXSID90297841- ChEMBL
CHEMBL1873285- EC Number
- 622-522-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 550
Physicochemical properties
- Melting point
- 161 · 161-163 °C
- Boiling point
- 676.4 · 676.4±55.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 10.98 · 10.98±0.46(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273
- Hazard Codes
- N
- Risk Statements
- 50 · 50/53
- Safety Statements
- 60 · 60-61
- RIDADR
- 3077 · UN 3077 9/PG 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.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- ridadr
- UN 3077 9/PG 3
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- Hazard statements
- H400
- Precautionary statements
- P273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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