4'-Hydroxybutyranilide

HCID 66874

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Basic information

CAS: 101-91-7
Standard SMILES: CCCC(=O)Nc1ccc(O)cc1
InChIKey: KESXDDATSRRGAH-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: 4'-Hydroxybutyranilide
IUPAC: N-(4-hydroxyphenyl)butanamide
English name: N-Butyryl-p-aminophenol
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

4'-HydroxybutyranilideN-(4-Hydroxyphenyl)butanamideN-Butyryl-p-aminophenol4-Butyramidophenolp-ButyramidophenolSuconox-4p-(Butyrylamino)phenolN-Butyroyl-p-aminophenolButanamide, N-(4-hydroxyphenyl)-Butyranilide, 4'-hydroxy-UNII-VLQ9M6ZONHVLQ9M6ZONH

Show more names

N-BUTYRYL-PARA-AMINOPHENOL4'-Hydroxybutyranilide 97%N-(4-hydroxyphenyl)butyramiden-(4-hydroxyphenyl)-butanamid4′-Hydroxybutyranilide, CAS 101-91-7

Butyranilide, p-hydroxy-NSC 166351EINECS 202-988-0NSC-166351DTXSID00592414'-HYDROXYBUTYRANILIDE [MI]N-(4-HYDROXYPHENYL) BUTYRAMIDERefChem:96007

Database identifiers

CAS: 101-91-7
PubChem CID: 66874
DTXSID: DTXSID0059241
UNII: VLQ9M6ZONH
EC Number: 202-988-0、925-112-5
Nikkaji: J4.996D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 162

Physicochemical properties

Melting point: 137 · 137-141 °C (lit.)
Boiling point: 311.75 °C · 311.75°C (rough estimate)
Density: 1.1248 · 1.1248 (rough estimate)
refractive index: 1.571 · 1.5710 (estimate)
pka: 10.12 · 10.12±0.26(Predicted)
Merck: 13 · 13,4839
InChI: 1S/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13)
InChIKey: KESXDDATSRRGAH-UHFFFAOYSA-N
SMILES: CCCC(=O)Nc1ccc(O)cc1
FDA UNII: 9 M6ZONH · VLQ9M6ZONH
EPA Substance Registry System: Butanamide, N-(4-hydroxyphenyl)- (101-91-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.