3-(2-methoxyanilino)propanenitrile

Modify Date: 2025-12-30 09:16:35

3-(2-methoxyanilino)propanenitrile Structure
3-(2-methoxyanilino)propanenitrile structure
Common Name 3-(2-methoxyanilino)propanenitrile
CAS Number 27472-15-7 Molecular Weight 176.21500
Density 1.106g/cm3 Boiling Point 341.8ºC at 760mmHg
Molecular Formula C10H12N2O Melting Point N/A
MSDS N/A Flash Point 160.5ºC

 Names

Name 3-(2-methoxyanilino)propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.106g/cm3
Boiling Point 341.8ºC at 760mmHg
Molecular Formula C10H12N2O
Molecular Weight 176.21500
Flash Point 160.5ºC
Exact Mass 176.09500
PSA 45.05000
LogP 2.09378
Vapour Pressure 7.83E-05mmHg at 25°C
Index of Refraction 1.562
InChIKey LUIMFCWRORVFTC-UHFFFAOYSA-N
SMILES COc1ccccc1NCCC#N

 Safety Information

HS Code 2926909090

 Synthetic Route

~80%

3-(2-methoxyanilino)propanenitrile Structure

3-(2-methoxyani...

CAS#:27472-15-7

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Literature: Ai, Xin; Wang, Xin; Liu, Jin-Ming; Ge, Ze-Mei; Cheng, Tie-Ming; Li, Run-Tao Tetrahedron, 2010 , vol. 66, # 29 p. 5373 - 5377

~%

3-(2-methoxyanilino)propanenitrile Structure

3-(2-methoxyani...

CAS#:27472-15-7

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Literature: Bates et al. Journal of the Chemical Society, 1956 , p. 388,395

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 3-(2-methoxyanilino)propanenitrileBioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

N-Cyanoaethyl-o-methoxyanilin
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