4-Acetaminobenzyl alcohol

HCID 152141

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Basic information

CAS: 16375-88-5
Standard SMILES: CC(=O)Nc1ccc(CO)cc1
InChIKey: XEYORFKUJZEQCH-UHFFFAOYSA-N
Molecular formula: C9H11NO2
Average molar mass: 165.19 g/mol
Monoisotopic mass: 165.07897859

Names & identifiers

Preferred name: 4-Acetaminobenzyl alcohol
IUPAC: N-[4-(hydroxymethyl)phenyl]acetamide
English name: 4-Acetamidobenzyl alcohol
Molecular formula: C9H11NO2
Molecular weight: 165.19

Names & synonyms

16375-88-54-Acetaminobenzyl alcoholp-Acetaminobenzyl alcoholDTXSID30167655RefChem:517293DTXCID80901464-Acetamidobenzyl alcoholN-(4-(Hydroxymethyl)phenyl)acetamideN-[4-(Hydroxymethyl)phenyl]acetamideMFCD00016868acetamide, N-[4-(hydroxymethyl)phenyl]-Acetamide, N-(4-(hydroxymethyl)phenyl)-

Show more names

N-(4-(Hydroxymethyl)Chloramphenicol Impurity 174-Acetamidobenzylalcohol,97%4-(Acetylamino)benzyl alcohol

N-[4-(Hydroxymethyl)phenyl]acetamide; 4-Acetamidobenzyl Alcohol; 4-Hydroxymethylacetanilide; N-Acetyl-4-hydroxymethylaniline; p-(Acetylamino)benzyl Alcohol;SCHEMBL1014074SCHEMBL6631155SCHEMBL7668834CHEMBL4476751n-(4-hydroxymethyl-phenyl)-acetamideAKOS000126000FA70499

Database identifiers

CAS: 16375-88-5
PubChem CID: 152141
DTXSID: DTXSID30167655
ChEMBL: CHEMBL4476751
EC Number: 673-041-0
Nikkaji: J82.502F

Properties

Computed structural properties

XLogP: 0.4
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: 151

Physicochemical properties

Melting point: 120 · 120-122°C
Boiling point: 120 · 120-122
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 14.37 · 14.37±0.10(Predicted)
color: Off-White
λmax: 246 nm · 246nm(MeOH)(lit.)
InChI: InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-8(6-11)3-5-9/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey: XEYORFKUJZEQCH-UHFFFAOYSA-N
SMILES: C(NC1=CC=C(CO)C=C1)(=O)C
CAS DataBase Reference: 16375 · 16375-88-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2906290090 · 2906290090

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: 2906290090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-Acetamidobenzyl Alcohol is a useful research chemical, a metabolites of a blocked chloramphenicol producer. It can be used to regulate plant growth.