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4-ACETAMIDOBENZYLAMINE

4-ACETAMIDOBENZYLAMINE structure

CAS No:
25412-53-7
Formula:
C9H12N2O
Chemical Name:
4-ACETAMIDOBENZYLAMINE
Synonyms:
4-ACETAMIDOBENZYLAMINE;N-[4-(Aminomethyl)Phenyl]Acetamide;N-(4-(aminomethyl)phenyl)acetamide;p-acetamido benzylamine;4-acetylamino-benzylamine;p-(Aminomethyl)acetanilide;4-(acetylamino)benzylamine;SCHEMBL1146000;CTK4F5692;DTXSID70571111
Categories:
Chemical Reagents > Organic Reagents

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4-ACETAMIDOBENZYLAMINE Basic Attributes

Molecular Weight：

164.2

Exact Mass：

164.09500

DSSTox ID：

DTXSID70571111

HScode：

2924299090

Characteristics

PSA：

55.1

XLogP3：

0.2

Density：

1.152g/cm3

Flash Point：

180.5ºC

Refractive Index：

1.603

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-ACETAMIDOBENZYLAMINE Use and Manufacturing

General procedure: A solution of N-arylbenzamide (0.5 mmol) in thionyl chloride (3 mL) was heated at 85 C in a closed vial overnight, then was evaporated to dryness. Toluene (3 mL) was added and the solvent was evaporated off to yield the crude iminochloride. The resultant residue was taken up in DMPU (2 mL); activated powdered molecular sieves (300 mg) and the benzylic amine (0.75 mmol) were added and the mixture was heated at 80 C for 1 h, then cooled to rt. Hexafluorobenzene (2 mL) was then added, followed by silver (II) oxide (3 mmol) and the resultant mixture was heated at 100 C overnight. The mixture was filtered through a plug of Celite using DCM to aid the transfer and washing of solids, and the combined organics were concentrated under reduced pressure. The resultant residue was purified by silica gel chromatography to afford the pure 2, 4-diarylquinazoline.General procedure: A solution of 2a (0.3 mmol) in conc. H2SO4 (3 mL) was stirred at 25 C for 3 h under air. Then the mixture was poured into water (25 mL) and extracted with ethyl acetate (3 * 15 mL). The combined organic layer was dried (Na2SO4) and filtered over Celite, evaporated in vacuo. The residue was purified by column chromatography (ethyl acetate/hexane) to afford the pure product.

Computed Properties

Molecular Weight:164.20
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.094963011
Monoisotopic Mass:164.094963011
Topological Polar Surface Area:55.1
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Compound Net Biotechnology Inc. Contact Supplier

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Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

25412-53-7 N-[4-(aminomethyl)phenyl]acetamide

CAS No.: 25412-53-7

Grade: Industrial Grade

Content: 95%

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