Basic information
- CAS
180684-58-6- Standard SMILES
O=C(OCc1ccccc1)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
XOAGXYJGAZOTAA-UHFFFAOYSA-N- Molecular formula
- C30H29NO2
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.21982917
Names & identifiers
- Preferred name
- 2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
- IUPAC
- benzyl 2-(dibenzylamino)-3-phenylpropanoate
Names & synonyms
2-DIBENZYLAMINO-3-PHENYL-PROPIONIC ACID BENZYL ESTERRefChem:471293619-216-796468-81-4NSC655438Benzyl 2-(dibenzylamino)-3-phenylpropanoateSCHEMBL7438541DTXSID201382928AKOS003375804N-dibenzyl l-phenylalanine benzyl esterNSC-655438180684-58-6
Show more names
NCI60_019232ST45023848benzyl 2-(dibenzylamino)-3-phenyl-propanoatephenylmethyl 2-[bisbenzylamino]-3-phenylpropanoateN,N-Bis(phenylmethyl)phenylalanine phenylmethyl ester
Database identifiers
- CAS
180684-58-6、96468-81-4- PubChem CID
- 375616
- DTXSID
DTXSID201382928- EC Number
- 619-216-7
- Nikkaji
- J1.632.552J
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 519
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]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
2 records
Compound notes
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