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Structure

Bis(4-amino-2-chloro-3,5-diethylphenyl)methane

CAS
106246-33-7
Catalog Number
ACM106246337
Category
Other Products
Molecular Weight
379.37
Molecular Formula
C21H28Cl2N2

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Specification

Description
DryPowder; PelletsLargeCrystals
Synonyms
Benzenamine, 4,4-methylenebis3-chloro-2,6-diethyl-
IUPAC Name
4-[(4-amino-2-chloro-3,5-diethylphenyl)methyl]-3-chloro-2,6-diethylaniline
Canonical SMILES
CCC1=CC(=C(C(=C1N)CC)Cl)CC2=C(C(=C(C(=C2)CC)N)CC)Cl
InChI
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
InChI Key
VIOMIGLBMQVNLY-UHFFFAOYSA-N
Boiling Point
506.4±45.0 °C
Melting Point
88 °C
Complexity
369
Covalently-Bonded Unit Count
1
EC Number
402-130-7
Exact Mass
378.162954g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
25
Monoisotopic Mass
378.162954g/mol
Physical State
Solid
Rotatable Bond Count
6
XLogP3
6.9
What is the molecular formula of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The molecular formula is C21H28Cl2N2.

What is the molecular weight of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The molecular weight is 379.4 g/mol.

What is the IUPAC name of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

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

What is the InChI of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The InChI is 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.

What is the InChIKey of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The InChIKey is VIOMIGLBMQVNLY-UHFFFAOYSA-N.

What is the canonical SMILES of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The canonical SMILES is CCC1=CC(=C(C(=C1N)CC)Cl)CC2=C(C(=C(C(=C2)CC)N)CC)Cl.

What is the CAS number of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The CAS number is 106246-33-7.

What is the European Community (EC) number of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The European Community (EC) number is 402-130-7.

What is the UNII of Bis(4-amino-2-chloro-3,5-diethylphenyl)methane?

The UNII is GN49RAR5P2.

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