Basic information
- CAS
51387-90-7- Standard SMILES
CN1CCCC1CCN- InChIKey
PNHGJPJOMCXSKN-UHFFFAOYSA-N- Molecular formula
- C7H16N2
- Average molar mass
- 128.22 g/mol
- Monoisotopic mass
- 128.13134851
Overview
1-Methylpyrrolidine-2-ethylamine is a pyrrolidine substituted by a methyl group at position 1 and bearing an ethylamine at position 2. It is functionally related to an ethylamine.
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)-1-methylpyrrolidine
- IUPAC
- 2-(1-methylpyrrolidin-2-yl)ethanamine
- English name
- 2-(2-Aminoethyl)-1-methylpyrrolidine
- Molecular formula
- C7H16N2
- Molecular weight
- 128.22
Names & synonyms
2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-71-Methylpyrrolidine-2-ethylamineDTXSID4012913972-[2-Aminoethyl]-1-methylpyrrolidineRefChem:434680DTXCID40892840257-169-02-(1-methylpyrrolidin-2-yl)ethanamine2-Pyrrolidineethanamine, 1-methyl-MFCD000031752-(1-Methylpyrrolidin-2-Yl)Ethan-1-Amine
Show more names
2-(2-Aminoethyl)-1-methyl2-(2-Aminoethyl)-1-methylpyN-Methyl-2-(2-aMinoethyl)pyr2-AMinoethyl-1-MethylpyrrolidineN-Methyl-2-Pyrrolidineethanamine1-methyl-2-(aminoethyl)pyrrolidine
2-(1-methylpyrrolidin-2-yl)ethylamine2-(2'-Aminoethyl)-1-N-methylpyrrolidine2-(1-Methyl-2-pyrrolidinyl)ethylamine1-Methylpyrrolidine-2-ethanamine(R)-1-METHYL-2-PYRROLIDINEETHANAMINE1-METHYL-2-(2-AMINOETHYL)PYRROLIDINE1-Methyl-2-pyrrolidineethanamineN-Methyl-2-(2-aminoethyl)pyrrolidine
Database identifiers
- CAS
51387-90-7- PubChem CID
- 98388
- DTXSID
DTXSID401291397- ChEBI
CHEBI:234484- EC Number
- 257-169-0
- Nikkaji
- J236.383F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 152.7 · 152.7±8.0 °C(Predicted)
- Density
- 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4684(lit.)
- Flash point
- 149 °F · 149 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.34 · 10.34±0.40(Predicted)
- form
- Powder
- color
- Light beige to light brown
- InChI
- InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
- InChIKey
- PNHGJPJOMCXSKN-UHFFFAOYSA-N
- SMILES
- N1(C)CCCC1CCN
- CAS DataBase Reference
- 51387 · 51387-90-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- RIDADR
- 2735 · 2735
- WGK Germany
- 2 · 2
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29339900 · 29339900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.7%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- 2735
- hs_code
- 29339900
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(2-Aminoethyl)-1-methylpyrrolidine is used as an electrochemiluminescence probe within microfluidic chip for ECL detection. 2-(2-Aminoethyl)-1-methylpyrrolidine is also used in chemical microarrays to identify ligands that bind pathogenic cells.
Uses2-(2-Aminoethyl)-1-methylpyrrolidine was used in dual-cloud point extraction and tertiary amine labeling for the quantification of indole-3-acetic acid and indole-3-butyric acid.
General Description2-(2-Aminoethyl)-1-methylpyrrolidine labelling acts as probe within microfluidic chip for electrochemiluminescence detection. It acts as electrogenerated chemiluminescence derivatization reagent for carboxylic acid in HPLC.
Upstream & downstream products
Upstream raw materials
Related reactions
91 records
Compound notes
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