CAS 77385-90-1 Ethyl 2-(dibenzylamino)acetate (HCID 3553452)

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Basic information

CAS: 77385-90-1
Standard SMILES: CCOC(=O)CN(Cc1ccccc1)Cc1ccccc1
InChIKey: AFMDCFOWHWNQBP-UHFFFAOYSA-N
Molecular formula: C18H21NO2
Average molar mass: 283.4 g/mol
Monoisotopic mass: 283.15722891

Names & identifiers

Preferred name: Ethyl 2-(dibenzylamino)acetate
IUPAC: ethyl 2-(dibenzylamino)acetate
English name: N,N-Dibenzylglycine ethyl ester
Molecular formula: C18H21NO2
Molecular weight: 283.36

Names & synonyms

Ethyl 2-(dibenzylamino)acetate77385-90-1DTXSID20393582RefChem:342499DTXCID10344442N,N-Dibenzylglycine Ethyl EsterDi-Bzl-Gly-OEtMFCD00796343ethyl dibenzylaminoacetateGlycine, N,N-bis(phenylmethyl)-, ethyl esterSCHEMBL254781dibenzylamino-acetic acid ethyl ester

Show more names

Ethyl 2-(dibenzylamino)Ethyl (dibenzylamino)acetateN,N-Dibenzyl-O-ethylglycinateN,N-dibenzylglycine ethyl esteN,N-DibenzylglycineEthylEster>DIBENZYLAMINO-ACETIC ACID ETHYL ESTERN,N-bis(phenylmethyl)Glycineethyl ester

AS-18545ethyl dibenzylglycinateEthyl N,N-dibenzylglycinateEthyl2-(Dibenzylamino)acetateAMY31404Ethyl 2-(dFT-0699402A839073

Database identifiers

CAS: 77385-90-1
PubChem CID: 3553452
DTXSID: DTXSID20393582
EC Number: 150-054-5、191-744-6
Nikkaji: J1.956.434G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 56 °C · 56 °C
Boiling point: 376 ℃ · 376℃
Density: 1.091 · 1.091
Flash point: 123 ℃ · 123℃
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 5.47 · 5.47±0.50(Predicted)
color: White to Almost white
InChI: InChI=1S/C18H21NO2/c1-2-21-18(20)15-19(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3
InChIKey: AFMDCFOWHWNQBP-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CN(CC1=CC=CC=C1)CC1=CC=CC=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338