4-Dimethylaminobenzyl alcohol

HCID 137166CAS 1703-46-4

Substructure search Find similar structures

Basic information

Standard SMILES: CN(C)c1ccc(CO)cc1
InChIKey: WQBCAASPALGAKX-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Overview

Benzenemethanol, 4-(dimethylamino)- is a member of benzyl alcohols.

Names & identifiers

Preferred name: 4-Dimethylaminobenzyl alcohol
IUPAC: [4-(dimethylamino)phenyl]methanol
English name: 4-(Dimethylamino)benzyl alcohol
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

4-dimethylaminobenzyl alcoholRefChem:117674N,N-dimethylaminobenzyl alcohol1703-46-44-(Dimethylamino)benzyl Alcohol(4-(dimethylamino)phenyl)methanol[4-(Dimethylamino)phenyl]methanolBenzenemethanol, 4-(dimethylamino)-4-(Dimethylamino)-benzenemethanolMFCD03840449Dimethylaminobenzyl alcoholBenzyl alcohol, p-(dimethylamino)-

Show more names

AKOS B023871ART-CHEM-BB B023871P-(DIMETHYLAMINO)BENZENECARBINOL4-(Dimethylamino)benzylalcohol97%

(4-dimethylaminophenyl)methanolp-(Dimethylamino)benzyl alcohol4-Hydroxymethyl-N,N-dimethylanilineNSC-49744[4-(dimethylamino)phenyl]methan-1-ol4-(Dimethylamino)benzylAlcohol4-(Dimethylamino)benzenemethanolrarechem al bd 0079

Database identifiers

CAS: 1703-46-4
PubChem CID: 137166
DTXSID: DTXSID00168836
ChEMBL: CHEMBL5187004
ChEBI: CHEBI:180985
UNII: T6XKY8X26R
EC Number: 640-224-1
Nikkaji: J80.292A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 69 °C · 69°C
Boiling point: 125 · 125-126°C 2mm
Density: 1.07 · 1.07
refractive index: 1.578 · 1.5780-1.5820
storage temp.: Freezer
pka: 14.88 · 14.88±0.10(Predicted)
form: liquid
color: Clear
InChI: InChI=1S/C9H13NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-6,11H,7H2,1-2H3
InChIKey: WQBCAASPALGAKX-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(N(C)C)C=C1
CAS DataBase Reference: 1703 · 1703-46-4(CAS DataBase Reference)
FDA UNII: 6 XKY8X26R · T6XKY8X26R
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

hs_code: 2922190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501