1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)

HCID 31228CAS 122-75-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)O.CC(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
InChIKey
MTRNNCLQPVCDLF-UHFFFAOYSA-N
Molecular formula
C16H20N2.2C2H4O2
Average molar mass
360.4 g/mol
Monoisotopic mass
360.20490738

Names & identifiers

Preferred name
1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
IUPAC
acetic acid;N,N'-dibenzylethane-1,2-diamine

Names & synonyms

122-75-8N,N'-Dibenzylethylenediamine diacetateBenzathine diacetate1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)X18B8X2C22DTXSID40883314NSC-33274RefChem:411930DTXCID901022852204-572-4N1,N2-Dibenzylethane-1,2-diamine diacetate
Show more names
N,N'-Dibenzyl ethylenediamine diacetateDBED diacetateMFCD00040588C20H28N2O4N,N'-Dibenzylethylenediamine Diacetate Salt1,2-Di(benzylamino)ethane diacetateacetic acid;N,N'-dibenzylethane-1,2-diamineNSC-81591

Database identifiers

CAS
122-75-8
PubChem CID
31228
DTXSID
DTXSID40883314
UNII
X18B8X2C22
EC Number
204-572-4

Properties

Computed structural properties

Topological polar surface area
98.7 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
26

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate

Status: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12715

1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, diacetate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2): INACTIVE

Related reactions

9 records
New reaction record

Linked notes

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