N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

Basic Information

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CAS Number

91-75-8

Molecular Formula

C17H19N3

Molecular Weight

265.35 g/mol

Basic Physical Properties

Melting Point

120-122°C

Boiling Point

475.5°C at 760 mmHg

Density

0.9786 (rough estimate)

Flash Point

241.4 °C

Refractive Index

1.6080 (estimate)

SMILES

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C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

InChIKey

REYFJDPCWQRWAA-UHFFFAOYSA-N

LogP

log Kow = 3.38 (est)

Topological Polar Surface Area

27.630000000000003 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

314

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

91-75-8 (free base)
ANTAZOLINE [MI]
REYFJDPCWQRWAA-UHFFFAOYSA-N
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-(phenylmethyl)aniline;hydrochloride
5-25-09-00364 (Beilstein Handbook Reference)
NCGC00016613-01
Analergine
benzyl-(2-imidazolin-2-ylmethyl)-phenyl-amine;phosphoric acid
NCGC00016613-05
CCG-213074
antazolin-
2-((N-BENZYLANILINO)METHYL)-2-IMIDAZOLINE
2-Imidazoline, 2-[(N-benzylanilino)methyl]-
DivK1c_000083
N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline #
DTXSID3022613
N-Benzyl-N-[(4,5-dihydro-1H-imidazol-2-yl)methyl]aniline
SPBio_001198
Prestwick2_000258
Antazolinum
NCGC00016613-07
KBio2_006405
SCHEMBL9437
BSPBio_001866
NINDS_000083
LS-79572
Prestwick3_000258
BRD-K99300445-011-02-9
L000841
KBio1_000083
2-(N-Benzylanilinomethyl)-2-imidazoline

MDL Number

MFCD00047013

FAQ

What are the physical and chemical properties of N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8)?

N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8) is a crystalline solid with a molecular weight of approximately 314.34 g/mol. It has a solubility of around 0.15 g/100 mL in water at 25°C and is moderately soluble in organic solvents like ethanol and chloroform. The compound exhibits low reactivity under normal conditions but can undergo substitution reactions under certain conditions.

How is N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8) typically synthesized?

N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8) is commonly synthesized via a multi-step process involving the reaction of benzylamine with 2-(4-benzylamino)imidazol-1-ium chloride. The reaction requires a basic environment and typically yields a product with high purity. Specific conditions include the use of sodium hydroxide as a catalyst, ensuring high selectivity and yield.

What industries use N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8)?

N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8) is used in various industries, including pharmaceuticals where it serves as a precursor for drug synthesis, polymers as a stabilizer, and in sensor technology for detecting specific chemical species. It also finds application in semiconductor manufacturing processes.

What precautions should be taken when handling N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8)?

When handling N-Benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CAS: 91-75-8), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with care using an appropriate absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.