Basic information
- CAS
154016-47-4- Standard SMILES
NCc1cc(-c2ccccc2)on1- InChIKey
GWDSZTSDAULPDO-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- (5-Phenylisoxazol-3-yl)methanamine
- IUPAC
- (5-phenyl-1,2-oxazol-3-yl)methanamine
- English name
- (5-PHENYLISOXAZOL-3-YL)METHYLAMINE
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
154016-47-4(5-Phenylisoxazol-3-yl)methanamine(5-phenylisoxazol-3-yl)methylamine(5-phenyl-1,2-oxazol-3-yl)methanamineC-(5-Phenyl-isoxazol-3-yl)-methylamineMFCD067389271-(5-phenyl-1,2-oxazol-3-yl)methanamineSCHEMBL1457325DTXSID60409439GWDSZTSDAULPDO-UHFFFAOYSA-N(5-Phenyl-isoxazol-3-yl)methylamineSBB012967
Show more names
AKOS PAO-1454CBI-BB ZERO/0048013-Isoxazolemethanamine, 5-phenyl-(5-phenyl-3-isoxazolyl)methanamine hydrochloride
STK510165AKOS003673984AB28197CCG-309975AS-49509ST084847DB-064012CS-0005458
Database identifiers
- CAS
154016-47-4- PubChem CID
- 5200315
- DTXSID
DTXSID60409439
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 342 · 342.0±27.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 7.35 · 7.35±0.29(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers28 total
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
上海洪创医药科技有限公司18151128828 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
上海卡恩医药科技有限公司021-34979681; 17701870669 · [email protected]
宁夏碧翠丝医药科技有限公司15769589321 1548536191 · [email protected]
Related reactions
4 records
Compound notes
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