N-(2-aminoethyl)-2,2,2-trifluoroacetamide

HCID 229755
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Basic information

CAS
496946-73-7
Standard SMILES
NCCNC(=O)C(F)(F)F
InChIKey
ZMBJWQJITKNQAY-UHFFFAOYSA-N
Molecular formula
C4H7F3N2O
Average molar mass
156.11 g/mol
Monoisotopic mass
156.0510475

Names & identifiers

Preferred name
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
IUPAC
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
English name
N-(2-aminoethyl)-2,2,2-trifluoroacetamide hydrochloride
Molecular formula
C4H8ClF3N2O
Molecular weight
192.57

Names & synonyms

N-(2-aminoethyl)-2,2,2-trifluoroacetamideRefChem:824896107-170-6496946-73-75458-14-0MFCD03265478NSC23686N-(2-Amino-ethyl)-2,2,2-trifluoro-acetamideCF3CONH(CH2)2NH2SCHEMBL67884SCHEMBL67885DTXSID00969825
Show more names
N-(2-aminoethyl)-2,2,2-trifluoroacetamide hydrochlorideN-(2-Aminoethyl)-2,2,2-trifluoroacetamide dihydrochloride
ALBB-003863NSC-23686SBB046461AKOS000321697FT89649mono-N-(trifluoroacetyl)ethylenediamineN-(2-Aminoethyl)tri(fluoro)ethanimidic acidN-(2-amino-ethyl)-2,2,2-trifluoroacetamide

Database identifiers

CAS
496946-73-7、5458-14-0
PubChem CID
229755
DTXSID
DTXSID00969825
EC Number
107-170-6

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
10

Physicochemical properties

InChI
InChI=1S/C4H7F3N2O.ClH/c5-4(6,7)3(10)9-2-1-8;/h1-2,8H2,(H,9,10);1H
InChIKey
IGNLUCQRRFXTMK-UHFFFAOYSA-N
SMILES
C(=O)(NCCN)C(F)(F)F.Cl
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers12 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海铖瑞生物科技有限公司17316456674 15316859367
上海凯盟化学科技有限公司18916626092 · [email protected]

Related reactions

10 records
New reaction record

Compound notes

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