5-((Dimethylamino)methyl)-2-furanmethanol

HCID 84906

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Basic information

CAS: 15433-79-1
Standard SMILES: CN(C)Cc1ccc(CO)o1
InChIKey: BQRQOLQFLNSWNV-UHFFFAOYSA-N
Molecular formula: C8H13NO2
Average molar mass: 155.19 g/mol
Monoisotopic mass: 155.09462866

Names & identifiers

Preferred name: 5-((Dimethylamino)methyl)-2-furanmethanol
IUPAC: [5-[(dimethylamino)methyl]furan-2-yl]methanol
English name: 5-[(DIMETHYLAMINO)METHYL]-2-FURANMETHANOL
Molecular formula: C8H13NO2
Molecular weight: 155.19

Names & synonyms

15433-79-15-[(Dimethylamino)methyl]-2-furanmethanol5-((Dimethylamino)methyl)-2-furanmethanolEINECS 239-445-2UNII-96O88RC7HA2-Furanmethanol, 5-[(dimethylamino)methyl]-96O88RC7HARANITIDINE AMINO ALCOHOL2-Furanmethanol, 5-((dimethylamino)methyl)-DTXSID101655935-(dimethylaminomethyl)furfuryl alcohol5-(DIMETHYLAMINOMETHYL)-2-FURANYLMETHANOL

Show more names

(5-((diMethylaMino)Methyl)furan-2-yl)MethanolRanitidine Impurity F HCl5-Dimethylaminomethyl-2-furfuryl alcohol5-[(dimethylamino)methyl]furan-2-methanol(5-((dimethylamino)methyl)furan-2-yl)methanol? (Ranitidine Impurity）

5-(HYDROXYMETHYL)-2-FURFURYLDIMETHYLAMINERANITIDINE HYDROCHLORIDE IMPURITY F [EP IMPURITY]RANITIDINE HYDROCHLORIDE IMPURITY F (EP IMPURITY)RANITIDINE HYDROCHLORIDE IMPURITY, RANITIDINE AMINO ALCOHOL-(USP IMPURITY)RANITIDINE HYDROCHLORIDE IMPURITY, RANITIDINE AMINO ALCOHOL-[USP IMPURITY]RefChem:101522DTXCID6088084239-445-2

Database identifiers

CAS: 15433-79-1
PubChem CID: 84906
DTXSID: DTXSID10165593
UNII: 96O88RC7HA
EC Number: 239-445-2
Nikkaji: J218.426E

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 36.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 117

Physicochemical properties

Boiling point: 110 · 110-111 °C(Press: 3 Torr)
Density: 1.07 g/cm3 · 1.07 g/cm3(Temp: 25 °C)
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
pka: 14.02 · 14.02±0.10(Predicted)
color: Dark Beige to Very Dark Brown
Stability: Hygroscopic
InChI: InChI=1S/C8H13NO2/c1-9(2)5-7-3-4-8(6-10)11-7/h3-4,10H,5-6H2,1-2H3
InChIKey: BQRQOLQFLNSWNV-UHFFFAOYSA-N
SMILES: O1C(CN(C)C)=CC=C1CO
FDA UNII: 96 O88RC7HA · 96O88RC7HA
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses5-[(Dimethylamino)methyl]-2-furanmethanol is an intermediate in the synthesis of Ranitidine hydrochloride (R120000). 5-[(Dimethylamino)methyl]-2-furanmethanol is an inhibitor of monoamine oxidase B.