pent-3-enenitrile

Modify Date: 2025-08-22 21:56:23

pent-3-enenitrile Structure
pent-3-enenitrile structure
Common Name pent-3-enenitrile
CAS Number 4635-87-4 Molecular Weight 81.11580
Density 0.827g/cm3 Boiling Point 144-147
Molecular Formula C5H7N Melting Point N/A
MSDS N/A Flash Point 40ºC

 Names

Name 3-Pentenenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.827g/cm3
Boiling Point 144-147
Molecular Formula C5H7N
Molecular Weight 81.11580
Flash Point 40ºC
Exact Mass 81.05780
PSA 23.79000
LogP 1.47618
Vapour Pressure 24.9 mm Hg ( 50 °C)
Index of Refraction n20/D 1.422
InChIKey UVKXJAUUKPDDNW-NSCUHMNNSA-N
SMILES CC=CCC#N

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R10
Safety Phrases 45-41-36/37/39-14
RIDADR UN 3275 6.1/PG 2
WGK Germany 3
Packaging Group II
HS Code 2926909090

 Synthetic Route

 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%

 pent-3-enenitrileBioassay

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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: 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: 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
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

3-PENTENENITRILE
1-Cyano-2-butene
EINECS 225-060-7
2-Buten-1-yl Cyanide
(E)-pent-3-enenitrile
MFCD00001963
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