Basic information
- CAS
878483-88-6- Standard SMILES
COC(=O)Cc1ccncc1N- InChIKey
OOWOCHPILFUGAN-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- Methyl 2-(3-aminopyridin-4-yl)acetate
- IUPAC
- methyl 2-(3-amino-4-pyridinyl)acetate
- English name
- Methyl 2-(3-aminopyridin-4-yl)acetate
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
Methyl 2-(3-aminopyridin-4-yl)acetate878483-88-6DTXSID70469564RefChem:353825DTXCID20420382(3-AMINOPYRIDIN-4-YL)ACETIC ACID METHYL ESTERSCHEMBL18808055Methyl (3-aminopyridin-4-yl)acetateAKOS006306956methyl 2-(3-amino-4-pyridyl)acetateMethyl2-(3-aminopyridin-4-yl)acetateAB63978
Show more names
DB-351763EN300-6511228
Database identifiers
- CAS
878483-88-6- PubChem CID
- 11622392
- DTXSID
DTXSID70469564- Nikkaji
- J2.274.582D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 82.5 · 82.5-83.0 °C(Solv: chloroform (67-66-3))
- Boiling point
- 332.4 · 332.4±27.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 6.16 · 6.16±0.18(Predicted)
Chemistry & industry
Suppliers6 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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