Basic information
- Standard SMILES
CNCCNC- InChIKey
KVKFRMCSXWQSNT-UHFFFAOYSA-N- Molecular formula
- C4H12N2
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.10004838
Overview
structure in first source
Names & identifiers
- Preferred name
- N,N'-Dimethylethylenediamine
- IUPAC
- N,N'-dimethylethane-1,2-diamine
- English name
- N,N'-Dimethyl-1,2-ethanediamine
- Molecular formula
- C4H12N2
- Molecular weight
- 88.15
Names & synonyms
Show more names
Database identifiers
- CAS
110-70-3- PubChem CID
- 8070
- DTXSID
DTXSID4058730- UNII
- JBC5EX42TL
- EC Number
- 203-793-3
- Nikkaji
- J25.736B
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 17.5
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 1.63 °C · 1.63°C (estimate)
- Boiling point
- 119 °C · 119 °C(lit.)
- Density
- 0.819 g/mL · 0.819 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.431(lit.)
- Flash point
- 83 °F · 83 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Miscible with chloroform and dichloromethane.
- form
- Liquid
- pka
- 10.54 · 10.54±0.10(Predicted)
- Specific Gravity
- 0.828 · 0.828
- color
- Clear colorless to slightly yellow
- Sensitive
- Air Sensitive
- BRN
- 878142 · 878142
- InChI
- 1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
- InChIKey
- KVKFRMCSXWQSNT-UHFFFAOYSA-N
- SMILES
- CNCCNC
- LogP
- -0.62 · -0.620
- CAS DataBase Reference
- 110 · 110-70-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 EX42TL · JBC5EX42TL
- NIST Chemistry Reference
- 3 NHCH2CH2NHCH3 · CH3NHCH2CH2NHCH3(110-70-3)
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N,N'-dimethyl- (110-70-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-34-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45-16
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 4250000 · KV4250000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29212900 · 29212900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Toxicity
- 50 · mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (98.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Toxicology
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KV4250000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29212900
- Toxicity
- mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
- risk_code
- 10-34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesHas a DNA binding effect
UsesN,N'-Dimethylethylenediamine is used in DNA binding effect. It is used to enhance the adsorption of carbon dioxide. It acts as a ligand and form coordination complex such as dinitrato(N,N'-dimethyl-1,2-ethanediamine)copper(II) and dichloro(1,4-bis-(diphenyl phosphino)butane)-(1,2-ethylenediamine)ruthenium(II).
Upstream & downstream products
Downstream products
Suppliers50 total
Related reactions
Linked notes
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