Basic information
- CAS
77897-23-5- Standard SMILES
c1ccc(C[C@H]2COCCN2)cc1- InChIKey
LSXCLMMIDIVSFG-NSHDSACASA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- (S)-3-Benzylmorpholine
- IUPAC
- (3S)-3-benzylmorpholine
- English name
- (S)-3-Benzylmorpholine
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
(S)-3-Benzylmorpholine77897-23-5(3S)-3-BENZYLMORPHOLINEMFCD11519115(S)-3-Benzylmorpholine hydrochlorideMorpholine, 3-(phenylmethyl)-, (3S)-(S)-3-Benzyl-morpholineSCHEMBL1176855(S)-3-(phenylmethyl)morpholineCHEMBL4533404DTXSID50440674LSXCLMMIDIVSFG-NSHDSACASA-N
Show more names
3-Benzylmorpholine(S)-3-BenzylMorpholine HCl(3S)-3-(phenylmethyl)-Morpholine(3S)-3-Benzylmorpholine - [B89568]
CDA89723AKOS016843511AS-40694SY002661CS-0098380EN300-99047F235804
Database identifiers
- CAS
77897-23-5- PubChem CID
- 10487535
- DTXSID
DTXSID50440674- ChEMBL
CHEMBL4533404- Nikkaji
- J3.138.406K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 280 · 280.0±20.0 °C(Predicted)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.97 · 8.97±0.40(Predicted)
- Appearance
- Light yellow to yellow Solid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [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]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海浦洛凯医药科技有限公司17269768198 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Related reactions
1 records
Compound notes
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