n-benzylacetamide

Modify Date: 2025-08-20 20:06:05

n-benzylacetamide Structure
n-benzylacetamide structure
Common Name n-benzylacetamide
CAS Number 588-46-5 Molecular Weight 149.19000
Density 1.031g/cm3 Boiling Point 157 °C / 2mmHg
Molecular Formula C9H11NO Melting Point 61°C
MSDS N/A Flash Point 194.5ºC

 Names

Name N-Acetylbenzylamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.031g/cm3
Boiling Point 157 °C / 2mmHg
Melting Point 61°C
Molecular Formula C9H11NO
Molecular Weight 149.19000
Flash Point 194.5ºC
Exact Mass 149.08400
PSA 29.10000
LogP 1.71360
Index of Refraction 1.521
InChIKey UZJLYRRDVFWSGA-UHFFFAOYSA-N
SMILES CC(=O)NCc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB4546300
CHEMICAL NAME :
Acetamide, N-benzyl-
CAS REGISTRY NUMBER :
588-46-5
BEILSTEIN REFERENCE NO. :
1817692
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H11-N-O
MOLECULAR WEIGHT :
149.21
WISWESSER LINE NOTATION :
1VM1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - changes in motor activity (specific assay) Behavioral - antipsychotic
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 127,220,1960

 Safety Information

Safety Phrases S24/25
RTECS AB4546300

 Synthetic Route

 n-benzylacetamideBioassay

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Name: Inhibition of chymotrypsin (unknown origin)
Source: ChEMBL
Target: N/A
External Id: CHEMBL3253411
Name: Selectivity for Trypanosoma cruzi triosephosphate isomerase over human triosephosphat...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1641185
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Antiparasitic activity against Trypanosoma cruzi T2 epimastigotes assessed as growth ...
Source: ChEMBL
Target: Trypanosoma cruzi
External Id: CHEMBL1641187
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Inhibition of Trypanosoma cruzi triosephosphate isomerase at 100 uM after 2 hrs
Source: ChEMBL
Target: Triosephosphate isomerase, glycosomal
External Id: CHEMBL1641189
Name: Inhibition of Trypanosoma cruzi triosephosphate isomerase at 400 uM after 2 hrs
Source: ChEMBL
Target: Triosephosphate isomerase, glycosomal
External Id: CHEMBL1641190
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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1

 Synonyms

EINECS 209-619-2
n-benzylacetamide
MFCD00059204
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