Basic information
- CAS
102037-93-4- Standard SMILES
COC(=O)C(c1ccccc1)c1ccccn1- InChIKey
KKHXWKFQTDTPJB-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- (RS)-phenyl-pyridin-2-yl-acetic acid methyl ester
- IUPAC
- methyl 2-phenyl-2-pyridin-2-ylacetate
- English name
- alpha-(2-Pyridyl)-phenylaceticacidmethylester
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.25852
Names & synonyms
102037-93-4DTXSID10391673(RS)-phenyl-pyridin-2-yl-acetic acid methyl esterRefChem:210964DTXCID60342534Methyl 2-phenyl-2-(pyridin-2-yl)acetate26483-64-7methyl 2-phenyl-2-pyridin-2-ylacetateMFCD00138127PHENYLPYRIDYLMETHYL ACETATEMethyl2-phenyl-2-(pyridin-2-yl)acetateSCHEMBL638444
Show more names
alpha-(2-Pyridyl)-phenylaceticacidmethylester
KKHXWKFQTDTPJB-UHFFFAOYSA-NMethyl phenyl(pyridin-2-yl)acetateAKOS005216130AKOS022188096DS-8879methyl 2-phenyl-2-(2-pyridyl)acetateSB55279DB-171919
Database identifiers
- CAS
102037-93-4、26483-64-7- PubChem CID
- 3346835
- DTXSID
DTXSID10391673- EC Number
- 182-569-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers13 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
苏州朗行生物科技有限公司0512-62968256 18550502935 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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