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1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene

1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene

Name: 1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C24H28 N2

Molecular Weight:

344.4925

CAS Number:

2687-27-6

Catalog Number:

2687-27-6

Product Information

Molecular Formula:

C24H28 N2

Molecular Weight:

344.4925

Description

1,3-Bis[2-(4-aminophenyl)-2-propyl]benzene serves as an intermediate compound in pharmaceutical manufacturing. It plays a crucial role in the synthesis of detomidine, a sedative and analgesic drug utilized in small scale surgeries and treatment of chronic pain.

Synonyms

4,4'-(1,3-PHENYLENEDIISOPROPYLIDENE)BISANILINE; LABOTEST-BB LT00159395; BISANILINE M; 4,4'-[1,3-Phenylenebis(1-methyl-1,1-ethanediyl)]bisaniline; 4,4'-[1,3-Phenylenebis(1-methylethane-1,1-diyl)]bisaniline; 4,4'-[1,3-Phenylenebis(1-methylethane-1,1-diyl)]diani

IUPAC Name

4-[2-[3-[2-(4-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline

Canonical SMILES

CC(C)(C1=CC=C(C=C1)N)C2=CC(=CC=C2)C(C)(C)C3=CC=C(C=C3)N

InChI

InChI=1S/C24H28N2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16H,25-26H2,1-4H3

InChI Key

KWOIWTRRPFHBSI-UHFFFAOYSA-N

Boiling Point

501.0±50.0 °C(Predicted)

Melting Point

110-114 °C(lit.)

Purity

>98.0%(GC)(T)

Density

1.074 g/cm3

Appearance

White to Light yellow powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

6.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

344.225248902 g/mol

Monoisotopic Mass

344.225248902 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

399

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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