Basic information
- CAS
10316-00-4- Standard SMILES
c1ccc(CN2CCOCC2)cc1- InChIKey
GVWBJJLCTWNTRU-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 4-Benzylmorpholine
- IUPAC
- 4-benzylmorpholine
- English name
- 4-benzylmorpholine
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
4-benzylmorpholine10316-00-4DTXSID90290317RefChem:1070367DTXCID70241463MFCD000905034-benzyl-morpholineMorpholine, 4-(phenylmethyl)-n-benzylmorpholineN-benzyl morpholineNSC67985Cambridge id 5513793
Show more names
Morpholine,4-(phenylmethyl)-
SCHEMBL60705SCHEMBL62595SCHEMBL102338SCHEMBL159991SCHEMBL297545SCHEMBL298222SCHEMBL948363SCHEMBL3161279
Database identifiers
- CAS
10316-00-4- PubChem CID
- 249546
- DTXSID
DTXSID90290317- ChEMBL
CHEMBL2220547- EC Number
- 179-065-3
- Nikkaji
- J472.305H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 194 °C · 194°C
- Boiling point
- 309.18 °C · 309.18°C (rough estimate)
- Density
- 1.0387 · 1.0387
- refractive index
- 1.5302 · 1.5302 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.6 · 6.60±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)
Safety data
- hs_code
- 2934999090
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Related reactions
3 records
Compound notes
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