2-Hydroxy-N,N-dimethylbenzamide

HCID 74500

Notes Reactions

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Basic information

CAS: 1778-08-1
Standard SMILES: CN(C)C(=O)c1ccccc1O
InChIKey: UBAYZMJYXBTDBB-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 2-Hydroxy-N,N-dimethylbenzamide
IUPAC: 2-hydroxy-N,N-dimethylbenzamide
English name: 2-Hydroxy-N,N-dimethyl-benzamide
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

2-hydroxy-N,N-dimethylbenzamideRefChem:473349827-939-61778-08-1N,N-DimethylsalicylamideBenzamide, 2-hydroxy-N,N-dimethyl-2-hydroxy-N,N-dimethyl-benzamideSalicyldimethylamideSalicylamide, N,N-dimethyl-MFCD00456946NSC-212254NSC 212254

Show more names

2-hydroxy-N,N-dimethyl-Salicylamide2-hydroxy-N,N-dimethylbenzamide(SALTDATA: FREE)

BRN 2361721Salicylamide MeBenzamide,2-hydroxy-N,N-dimethyl-NSC212254Salicylamide,N-dimethyl-W67JMY7PNVWLN: QR BVN1&1F3308-0299

Database identifiers

CAS: 1778-08-1
PubChem CID: 74500
DTXSID: DTXSID70170380
UNII: W67JMY7PNV
EC Number: 827-939-6
Nikkaji: J48.301J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

LogP0.44

Physicochemical properties

Melting point: 165 °C · 165 °C(Solv: ethanol, 50% (64-17-5))
Boiling point: 293.03 °C · 293.03°C (rough estimate)
Density: 1.1603 · 1.1603 (rough estimate)
refractive index: 1.527 · 1.5270 (estimate)
pka: 8.41 · 8.41±0.30(Predicted)
form: solid
InChI: 1S/C9H11NO2/c1-10(2)9(12)7-5-3-4-6-8(7)11/h3-6,11H,1-2H3
InChIKey: UBAYZMJYXBTDBB-UHFFFAOYSA-N
SMILES: O=C(N(C)C)C1=CC=CC=C1O
FDA UNII: 67 JMY7PNV · W67JMY7PNV
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.