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Primary Amine-Difunctional
4,4'-Methylene-bis(2,6-diethylaniline)

4,4'-Methylene-bis(2,6-diethylaniline)

Name: 4,4'-Methylene-bis(2,6-diethylaniline)
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C21H30N2

Molecular Weight:

310.48

CAS Number:

13680-35-8

Catalog Number:

13680-35-8

Product Information

Molecular Formula:

C21H30N2

Molecular Weight:

310.48

Description

4,4'-Methylene-bis(2,6-diethylaniline) is a pivotal intermediary in the synthesis of potent anti-inflammatory medications, formidable antioxidant agents, and exceptional antithrombotic agents

Synonyms

4,4'-METHYLENEBIS(2,6-DIETHYLANILINE); LONZACURE(R) M-DEA; LABOTEST-BB LT00053356; 4,4'-methylenebis[2,6-diethyl-benzenamin; 4,4'-methylenebis[2,6-diethyl-Benzenamine; 4,4'-Methylene-(Bis(2,6-Diethylaniline) (MDEA)

IUPAC Name

4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline

Canonical SMILES

CCC1=CC(=CC(=C1N)CC)CC2=CC(=C(C(=C2)CC)N)CC

InChI

InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3

InChI Key

NWIVYGKSHSJHEF-UHFFFAOYSA-N

Boiling Point

463.5°C at 760 mmHg

Melting Point

88°C

Purity

95%

Density

1.019 g/cm3

Appearance

white to brown crystaline powder

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P270:
Do not eat, drink or smoke when using this product.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312+P330:
IF SWALLOWED:
Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

5.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

310.240898965 g/mol

Monoisotopic Mass

310.240898965 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

283

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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