N-Ethylethylenediamine
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Basic information
- CAS
110-72-5- Standard SMILES
CCNCCN- InChIKey
SCZVXVGZMZRGRU-UHFFFAOYSA-N- Molecular formula
- C4H12N2
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.10004838
Names & identifiers
- Preferred name
- N-Ethylethylenediamine
- IUPAC
- N'-ethylethane-1,2-diamine
- English name
- 2-Aminoethyl(ethyl)amine
- Molecular formula
- C4H12N2
- Molecular weight
- 88.15
Names & synonyms
N-Ethylethylenediamine2-Aminoethyl(ethyl)amine1,2-Ethanediamine, N-ethyl-2-EthylaminoethylamineN-Ethyl ethylenediamine1,2-Ethanediamine, N1-ethyl-2-(ethylamino)ethylamineN-EthylenediamineN-(2-aminoethyl)ethylamineEINECS 203-795-4UNII-941MVD708NCCRIS 8925
Show more names
N1-ethylethane-1,2-diaMineEAEAEthylethylenediamineN,N-Dimethyl-N’ETHYLAMINO ETHYLAMINEN-ETHYLETHYLENDIAMINEN-EthylethylnediaMine
1-ethylethylenediamineAI3-26672941MVD708Nn-ethyl-1,2-diaminoethaneETHYLETHYLENEDIAMINE, N-DTXSID8059390RefChem:163347DTXCID1033165
Database identifiers
- CAS
110-72-5- PubChem CID
- 66071
- DTXSID
DTXSID8059390- ChEMBL
CHEMBL70445- UNII
- 941MVD708N
- EC Number
- 203-795-4
- Nikkaji
- J25.749D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 21.5
Physicochemical properties
- Melting point
- 1.63 °C · 1.63°C (estimate)
- Boiling point
- 130 °C · 130 °C
- Density
- 0.84 · 0.84
- refractive index
- 1.44 · 1.44
- Flash point
- 33 °C · 33 °C
- storage temp.
- Flammables area
- Water Solubility
- Completely soluble in water
- pka
- 1 · pK1:7.63(+2);pK2:10.56(+1) (25°C)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Sensitive
- Air Sensitive
- BRN
- 1098272 · 1098272
- InChI
- 1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
- InChIKey
- SCZVXVGZMZRGRU-UHFFFAOYSA-N
- SMILES
- CCNCCN
- CAS DataBase Reference
- 110 · 110-72-5(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 45.1% (37 of 82) of reports.
Danger
H225 (48.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 82 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 CategoriesFlam. Liq. 2 (48.8%)
Safety data
- F
- 10-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 2921290090
- risk_code
- 10-34-43-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS08
- hazard_code
- C,F
- hazard_note
- Flammable/Corrosive
- safety_code
- 26-36/37/39-45-25-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1-ethyl-: ACTIVE
Applications
UsesN-Ethylethylenediamine is a chelating agent used in mutagenesis research studies. It undergoes condensation with 2-hydroxy-3-methoxybenzaldehyde. It also forms organometallic ruthenium(II) complexes that inhibit the growth in human ovarian cancer cell lines.
General DescriptionN-Ethylethylenediamine undergoes condensation with 2-hydroxy-3-methoxybenzaldehyde. It also forms organometallic ruthenium(II) complexes that inhibit the growth in human ovarian cancer cell lines.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
42 records
Compound notes
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