Basic information
- CAS
27438-39-7- Standard SMILES
Oc1ccc2ccccc2c1CN1CCOCC1- InChIKey
VNKDDFRRCCZWOU-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- 1-(Morpholinomethyl)2-naphthol
- IUPAC
- 1-(morpholin-4-ylmethyl)naphthalen-2-ol
- English name
- 1-(MORPHOLINOMETHYL)-2-NAPHTHOL
- Molecular formula
- C15H17NO2
- Molecular weight
- 243.3
Names & synonyms
27438-39-71-(Morpholin-4-ylmethyl)-2-naphthol1-(Morpholinomethyl)-2-Naphthol1-Morpholinomethyl-2-naphthol2-NAPHTHOL, 1-(MORPHOLINOMETHYL)-2-Naphthalenol, 1-(4-morpholinylmethyl)-NSC 89760EINECS 248-458-2PJ3W002VVZNSC 651417BRN 01992571-(Morpholinomethyl)2-naphthol
Show more names
1-(morpholinomethyl)-2-naphtho1-(4-Morpholinylmethyl)-2-naphthol1-(Morpholinomethyl)naphthalen-2-ol1-(Morpholine-4-ylmethyl)-2-naphthol2-Naphthalenol,1-(4-MorpholinylMethyl)-1-(morpholin-4-ylmethyl)naphthalen-2-ol2-HYDROXY-1-(MORPHOLINOMETHYL)NAPHTHALENE2-hydroxy-1-(N-morpholinomethyl)naphthalene
NSC-89760NSC-651417DTXSID701818554-27-00-00175 (Beilstein Handbook Reference)NSC-1092671-(4-MORPHOLINYLMETHYL)-2-NAPHTHALENOL1-(N-MORPHOLINO-4-YLMETHYL)-2-NAPHTHOL2-((4-MORPHOLINYL)METHYL)-2-NAPHTHALENOL
Database identifiers
- CAS
27438-39-7- PubChem CID
- 33839
- DTXSID
DTXSID70181855- ChEMBL
CHEMBL1491673- UNII
- PJ3W002VVZ
- EC Number
- 248-458-2
- Nikkaji
- J42.449H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Solubility>36.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 406.3 · 406.3±30.0 °C(Predicted)
- Density
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- pka
- 9.39 · 9.39±0.50(Predicted)
- FDA UNII
- 3 W002VVZ · PJ3W002VVZ
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H318-H400-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Naphthalenol, 1-(4-morpholinylmethyl)-
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H318-H400-H315
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers6 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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