Basic information
- CAS
40987-24-4- Standard SMILES
OCC1CN(Cc2ccccc2)CCO1- InChIKey
WQNIKIMRIXHNFF-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592878
Names & identifiers
- Preferred name
- (4-Benzylmorpholin-2-yl)methanol
- IUPAC
- (4-benzylmorpholin-2-yl)methanol
- English name
- (4-Benzyl-1,4-oxazinan-2-yl)methanol
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
(4-benzylmorpholin-2-yl)methanol40987-24-44-BENZYL-2-(HYDROXYMETHYL)MORPHOLINE(4-BENZYL-1,4-OXAZINAN-2-YL)METHANOL2-Hydroxymethyl-4-benzylmorpholineMFCD026820092-MORPHOLINEMETHANOL, 4-(PHENYLMETHYL)-(4-Benzyl-morpholin-2-yl)-methanol4-(Phenylmethyl)-2-morpholinemethanol; (4-Benzylmorpholin-2-yl)methanol;4-Benzyl-2-(hydroxymethyl)morpholine; 4-Benzyl-2-morpholinemethanol;SDCCGMLS-0065967.P001(R)-4-Benzyl-2SCHEMBL352001
Show more names
BUTTPARK 98\04-204-Benzyl-2-MorpholineMethanol(4-Benzyl-2-morpholinyl)methanol4-(PhenylMethyl)-2-MorpholineMethanol4-Benzyl-2-(hydroxymethyl)morpholine, {[2-(Hydroxymethyl)morpholin-4-yl]methyl}benzene
N-benzylmorpholin-2-ylmethanolorb3030955SCHEMBL4690091SCHEMBL22121721DTXSID20380013WQNIKIMRIXHNFF-UHFFFAOYSA-N4-benzyl-2-hydroxymethylmorpholineN-benzyl-2-hydroxymethylmorpholine
Database identifiers
- CAS
40987-24-4- PubChem CID
- 2776358
- DTXSID
DTXSID20380013- Nikkaji
- J1.129.770F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 114 °C · 114°C 0,05mm
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 14.36 · 14.36±0.10(Predicted)
- color
- Clear Pale Yellow
- CAS DataBase Reference
- 40987 · 40987-24-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 24 · 24/25-39-26
- Hazard Note
- Irritant
Safety & regulation
Safety data
- hs_code
- 2934999090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesIntermediate in the preparation of various antidepressants and protein kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers83 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司
Related reactions
25 records
Compound notes
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