Basic information
- Standard SMILES
NC(COCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
ZYSSRDBCZVJBPQ-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- Benzyl 2-amino-3-(benzyloxy)propanoate
- IUPAC
- benzyl 2-amino-3-phenylmethoxypropanoate
Names & synonyms
benzyl 2-amino-3-(benzyloxy)propanoate750507-79-021948-10-7H-Ser(Bzl)-OBzl p-tosylateSCHEMBL7419152benzyl 2-amino-3-benzyloxy-propanoatebenzyl2-amino-3-(benzyloxy)propanoateSB82135EN300-260473
Database identifiers
- PubChem CID
- 4518223
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 296
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)；Eye Dam. 1 (97.4%)
Related reactions
1 records
Compound notes
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