3-hydroxy-N-methylbenzamide

HCID 353710

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Basic information

CAS: 15788-97-3
Standard SMILES: CNC(=O)c1cccc(O)c1
InChIKey: JJDMDNNJDGIVCG-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 3-hydroxy-N-methylbenzamide
IUPAC: 3-hydroxy-N-methylbenzamide
English name: Benzamide, 3-hydroxy-N-methyl-
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

3-hydroxy-N-methylbenzamide15788-97-3DTXSID30326583RefChem:279941DTXCID20277696809-186-53-HYDROXY-N-METHYL-BENZAMIDEBENZAMIDE, 3-HYDROXY-N-METHYL-MFCD08729289NSC602735SCHEMBL162859AB7323

Show more names

3-hydroxy-n-methylbenzyl AmideBenzamide, 3-hydroxy-N-methyl- (9CI)

(3-hydroxyphenyl)-n-methylcarboxamideAKOS000207284MB06615SCHEMBL162858SCHEMBL1570165SCHEMBL29357844QAA78897NSC-602735

Database identifiers

CAS: 15788-97-3
PubChem CID: 353710
DTXSID: DTXSID30326583
EC Number: 809-186-5

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 147

Physicochemical properties

Melting point: 115 °C · 115 °C(Solv: water (7732-18-5))
Boiling point: 335.8 · 335.8±25.0 °C(Predicted)
Density: 1.179 · 1.179±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.13 · 9.13±0.10(Predicted)
form: solid
Appearance: White to off-white Solid
InChI: 1S/C8H9NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKey: JJDMDNNJDGIVCG-UHFFFAOYSA-N
SMILES: O=C(NC)C1=CC(O)=CC=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · WGK 3
HS Code: 2924297099 · 2924297099
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.