2-Acetamidobenzyl alcohol

HCID 339292

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Basic information

CAS: 20939-77-9
Standard SMILES: CC(=O)Nc1ccccc1CO
InChIKey: RQJHQXMAFMCVHL-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 2-Acetamidobenzyl alcohol
IUPAC: N-[2-(hydroxymethyl)phenyl]acetamide
English name: 2-AcetaMidobenzyl Alcohol
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

2-Acetamidobenzyl AlcoholRefChem:462772875-155-820939-77-9N-[2-(hydroxymethyl)phenyl]acetamideN-(2-(Hydroxymethyl)phenyl)acetamideAcetamide, N-[2-(hydroxymethyl)phenyl]-MFCD14648693NSC-365355ACETAMIDE, N-(2-(HYDROXYMETHYL)PHENYL)-TU 2353E2-(ACETYLAMINO)BENZYL ALCOHOL

Show more names

o-AcetaminobenzylalkoholHTJ9MWZ7F5ACETAMIDE, N (HYDROXYMETHYL PHENYL)-DERIVN-acetyl-2-amino-benzylalcoholSCHEMBL3150784SCHEMBL7055476O-ACETAMIDOBENZYL ALCOHOLSCHEMBL30168125

Database identifiers

CAS: 20939-77-9
PubChem CID: 339292
DTXSID: DTXSID30943234
UNII: HTJ9MWZ7F5
EC Number: 875-155-8
Nikkaji: J507.286G

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 114 · 114-115 °C(Solv: methanol (67-56-1))
Boiling point: 393.1 · 393.1±25.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.11 · 14.11±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2924297099 · 2924297099

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362