Basic information
- CAS
3000-75-7- Standard SMILES
CCNCc1cccnc1- InChIKey
SGROJTFSHJVVSF-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004838
Names & identifiers
- Preferred name
- Ethyl[(pyridin-3-yl)methyl]amine
- IUPAC
- N-(pyridin-3-ylmethyl)ethanamine
- English name
- N-(Pyridin-3-ylmethyl)ethylamine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
ethyl[(pyridin-3-yl)methyl]amineethyl((pyridin-3-yl)methyl)amineRefChem:596463682-067-13000-75-7N-(pyridin-3-ylmethyl)ethanamineN-Ethyl-N-(3-pyridylmethyl)amineN-(PYRIDIN-3-YLMETHYL)ETHYLAMINEethyl-pyridin-3-ylmethyl-amineMFCD045578693-Pyridinemethanamine, N-ethyl-N-Ethyl-3-Pyridinemethylamine
Show more names
nAChR-IN-2N-(Pyridin-3-ylmethyl)N-ethyl-3-PyridineMethanaMineN-(3-Pyridinylmethyl)ethanamineN-(Pyridin-3-ylmethyl)ethanamine 95+%N-(3-pyridinylmethyl)ethanamine(SALTDATA: FREE)
N-ethyl-3-pyridylmethylamineN-(3-pyridylmethyl)ethanamineethyl(3-pyridylmethyl)amineorb3023365SCHEMBL1037867SCHEMBL7214218SCHEMBL7367240SCHEMBL8404150
Database identifiers
- CAS
3000-75-7- PubChem CID
- 4716480
- DTXSID
DTXSID20405876- ChEMBL
CHEMBL2286832- EC Number
- 682-067-1
- Nikkaji
- J508.050I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.3
Experimental & physicochemical properties
LogP0.76
Physicochemical properties
- Boiling point
- 217.5 · 217.5±15.0 °C(Predicted)
- Density
- 0.967 · 0.967±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 8.66 · 8.66±0.10(Predicted)
- color
- Clear Yellow
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- RIDADR
- 3259 · UN3259
- HazardClass
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (37.5%)
Safety data
- ridadr
- UN3259
- hs_code
- 2921490090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-(Pyridin-3-ylmethyl)ethanamine is used as a reagent in organic synthesis, in particular, that of bis-nicotine derivatives which act as inhibitors of cholinesterases and β-amyloid aggregation. It is also used in the synthesis of [11C]EMPA which acts as a potential PET tracer for orexin 2 receptors. N-(Pyridin-3-ylmethyl)ethanamine is also a nicotinic analog.
Suppliers40 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
31 records
Compound notes
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