CAS 40987-24-4|(4-benzyl-1,4-oxazinan-2-yl)methanol|(4-benzylmorpholin-2-yl)methanol|(4-benzylmorpholin-2-yl)methanol|(4-Benzylmorpholin-2-yl)methanol|4-Benzyl-2-(hydroxymethyl)morpholine|(4-benzylm...

General Information

Structure

Molecular Formula

C₁₂H₁₇NO₂

Molecular Mass

207.26888

Exact Mass

207.12592879

Charge

InChI

InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2

InChIKey

WQNIKIMRIXHNFF-UHFFFAOYSA-N

Canonic Smiles

OCC1OCCN(C1)Cc1ccccc1

Isomeric Smiles

N1(CC(CO)OCC1)Cc1ccccc1

Calculated Properties

JChem

Acid pKa

14.636313

H Acceptors

H Donor

LogD (pH = 5.5)

-0.4964901

LogD (pH = 7.4)

0.90386504

Log P

1.0658072

Molar Refractivity

59.6377

Polarizability

23.483107

Polar Surface Area

32.7

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(4-benzyl-1,4-oxazinan-2-yl)methanol(4-Benzylmorpholin-2-yl)methanol4-Benzyl-2-(hydroxymethyl)morpholine(4-benzylmorpholin-2-yl)methanol4-(Phenylmethyl)-2-morpholinemethanol4-Benzyl-2-(hydroxymethyl)morpholine4-Benzyl-2-morpholinemethanol2-Hydroxymethyl-4-benzylmorpholine

IUPAC name

(4-benzylmorpholin-2-yl)methanol

IUPAC Traditional name

(4-benzylmorpholin-2-yl)methanol

Names and Identifiers

Registration numbers

CAS Number

40987-24-4

MDL Number

MFCD02682009

PubChem CID

2776358