4-Acetamidophenylacetonitrile

HCID 289748

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Basic information

CAS: 25025-06-3
Standard SMILES: CC(=O)Nc1ccc(CC#N)cc1
InChIKey: SPAOQNOLRMENDZ-UHFFFAOYSA-N
Molecular formula: C10H10N2O
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.07931294

Names & identifiers

Preferred name: 4-Acetamidophenylacetonitrile
IUPAC: N-[4-(cyanomethyl)phenyl]acetamide
English name: 4-Acetamidophenylacetonitrile
Molecular formula: C10H10N2O
Molecular weight: 174.2

Names & synonyms

4-Acetamidophenylacetonitrile25025-06-3N-[4-(Cyanomethyl)phenyl]acetamideN-(4-(Cyanomethyl)phenyl)acetamideMFCD000163984'-(Cyanomethyl)acetanilideMaybridge3_000519NSC151986Oprea1_2763164-(acetylamino)benzyl cyanideSCHEMBL549173MLS000851109

Show more names

Acetamide, N-[4-(cyanomethyl)phenyl]-sodium hydroxy-(4-hydroxyphenyl)arsinate4-Acetamidophenylacetonitrile, N-[4-(Cyanomethyl)phenyl]acetamide

CHEMBL1866453DTXSID10302587HMS1432H13HMS2777C12N1-[4-(cyanomethyl)phenyl]acetamideSBB017691AKOS009017122FS-1518

Database identifiers

CAS: 25025-06-3
PubChem CID: 289748
DTXSID: DTXSID10302587
ChEMBL: CHEMBL1866453
EC Number: 673-036-3
Nikkaji: J1.149.265G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 220

Experimental & physicochemical properties

Solubility>26.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 82 °C · 82 °C
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Light brown to brown Solid
CAS DataBase Reference: 25025 · 25025-06-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2926907090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501