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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
4-[(4-amino-2-chloro-3,5-diethylphenyl)methyl]-3-chloro-2,6-diethylaniline

Inventory

EC number:
402-130-7
EC name:
-
CAS number:
-
Description:
4,4'-METHYLEN-BIS-(3-CHLOR-2,6-DIETHYLANILIN); LONZACURE (R) CEDA; LONZACURE (R) MCDEA; LONZACURE M-CDEA
CAS number:
106246-33-7
Synonyms
Names:
4,4'-METHYLEN-BIS-(3-CHLOR-2,6-DIETHYLANILIN)
4,4'-Methylene-bis-(3-chloro-2,6-diethylaniline)
M-CEDA
P5367
Identifier:
IUPAC name
4,4'-Methylene-bis-(3-chloro-2,6-diethylaniline
Identifier:
IUPAC name
4,4'-Methylene-bis-(3-chloro-2,6-diethylaniline)
Identifier:
other: internal substance code
5367
Identifier:
other: Molecular formula
C21 H28 Cl2 N2
Identifier:
other: Molecular formula
C21H28Cl2N2
Identifier:
other: SMILES notation
CCC1=CC(CC2=C(Cl)C(CC)=C(N)C(CC)=C2)=C(Cl)C(CC)=C1N
Identifier:
other: SMILES notation
Nc1c(cc(c(c1CC)Cl)Cc1cc(c(c(c1Cl)CC)N)CC)CC
Identifier:
other: internal substance code
P5367
4,4'-Methylene-bis-(3-chloro-2,6- diethylaniline)

Molecular and structural information

Molecular formula:
C21 H28 Cl2 N2
Molecular weight:
379.372
SMILES notation:
CCc2cc(Cc1cc(CC)c(N)c(CC)c1Cl)c(Cl)c(CC)c2N
InChl:
InChI=1S/C21H28Cl2N2/c1-5-12-9-14(18(22)16(7-3)20(12)24)11-15-10-13(6-2)21(25)17(8-4)19(15)23/h9-10H,5-8,11,24-25H2,1-4H3
Structural formula:
Chemical structure

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