Basic information
- CAS
55496-55-4- Standard SMILES
CNCCc1ccncc1- InChIKey
QZBUGNURVLWJPK-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004838
Names & identifiers
- Preferred name
- Methyl[2-(pyridin-4-yl)ethyl]amine
- IUPAC
- N-methyl-2-pyridin-4-ylethanamine
- English name
- 4-[2-(Methylamino)ethyl]pyridine
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
methyl[2-(pyridin-4-yl)ethyl]amineN-METHYL-4-PYRIDINEETHANAMINEmethyl(2-(pyridin-4-yl)ethyl)amineRefChem:818367848-140-955496-55-44-[2-(Methylamino)ethyl]pyridineN-methyl-2-(pyridin-4-yl)ethanamine4-(2-methylaminoethyl)pyridine4-MethylaminoethylpyridineN-methyl-2-pyridin-4-ylethanamineMFCD00047456
Show more names
TIMTEC-BB SBB0102294-PYRIDINEETHANAMINE,N-METHYLN-Methyl-2-(4-pyridinyl)ethanamineN-Methyl-2-(pyridin-4-yl)ethylamineMETHYL-(2-PYRIDIN-4-YL-ETHYL)-AMINE
4-(2-(Methylamino)ethyl)pyridineN-methyl-2-(4-pyridyl)ethanamineN-methyl-N-(2-pyridin-4-ylethyl)amineN-methyl-2-(pyridin-4-yl)ethan-1-amine4-(2-Methylamino)ethyl)pyridinePyridine, 4-(2-methylaminoethyl)-4-PYRIDINEETHANAMINE, N-METHYL-Betahistine Impurity 26
Database identifiers
- CAS
55496-55-4- PubChem CID
- 143276
- DTXSID
DTXSID90204075- EC Number
- 848-140-9
- Nikkaji
- J284.343I
Properties
Computed structural properties
- XLogP
- 0.4
- 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
- 77.3
Physicochemical properties
- Boiling point
- 230.8 · 230.8±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
- form
- solid
- pka
- 9.74 · 9.74±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C8H12N2/c1-9-5-2-8-3-6-10-7-4-8/h3-4,6-7,9H,2,5H2,1H3
- InChIKey
- QZBUGNURVLWJPK-UHFFFAOYSA-N
- SMILES
- CNCCc1ccncc1
- CAS DataBase Reference
- 55496 · 55496-55-4(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers29 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
21 records
Compound notes
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