Basic information
- Standard SMILES
CN(C)CCN- InChIKey
DILRJUIACXKSQE-UHFFFAOYSA-N- Molecular formula
- C4H12N2
- Average molar mass
- 88.15 g/mol
- Monoisotopic mass
- 88.10004838
Names & identifiers
- Preferred name
- N,N-Dimethylethylenediamine
- IUPAC
- N',N'-dimethylethane-1,2-diamine
- English name
- N,N-Dimethylethylenediamine
- Molecular formula
- C4H12N2
- Molecular weight
- 88.15
Names & synonyms
Show more names
Database identifiers
- CAS
108-00-9- PubChem CID
- 66053
- DTXSID
DTXSID7059357- UNII
- GJ3A38X3M9
- EC Number
- 203-541-2
- Nikkaji
- J91.250F
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 26.7
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- -70 °C · -70 °C
- Boiling point
- 104 · 104-106 °C (lit.)
- Density
- 0.807 g/mL · 0.807 g/mL at 20 °C (lit.)
- vapor pressure
- 0.35 psi · 0.35 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.438(lit.)
- Flash point
- 75 °F · 75 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- pka
- 9.59 · 9.59±0.10(Predicted)
- color
- Clear colorless to pale yellow
- PH
- 11.4 · 11.4 (10g/l, H2O, 20℃)
- explosive limit
- 1.3 · 1.3-10.8%(V)
- Water Solubility
- MISCIBLE
- Sensitive
- Hygroscopic
- BRN
- 605279 · 605279
- InChI
- 1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
- InChIKey
- DILRJUIACXKSQE-UHFFFAOYSA-N
- SMILES
- CN(C)CCN
- CAS DataBase Reference
- 108 · 108-00-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 A38X3M9 · GJ3A38X3M9
- NIST Chemistry Reference
- 1 · 1,2-Ethanediamine, N,N-dimethyl-(108-00-9)
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N,N-dimethyl- (108-00-9)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312-H314
- Precautionary statements
- 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T+,F,C
- Risk Statements
- 24 · 24/25-26-34-35-21/22-11-36/37-10
- Safety Statements
- 26 · 26-28-36/37/39-45-36-28A-23-16
- RIDADR
- 3302 · UN 3302 6.1/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 8608250 · KH8608250
- F
- 8 · 8
- Autoignition Temperature
- 225 °C · 225 °C
- Hazard Note
- Highly Flammable/Corrosive/Harmful
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29212900 · 29212900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1135 mg/kg
- REACH Registrations
- Active
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
GHS classification
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1,2-Ethanediamine, N,N-dimethyl-
1,2-Ethanediamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
Safety data
- F
- 8
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KH8608250
- ridadr
- UN 3302 6.1/PG 2
- hs_code
- 29212900
- Toxicity
- LD50 orally in Rabbit: 1135 mg/kg
- risk_code
- 24/25-26-34-35-21/22-11-36/37-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- T+,F,C
- hazard_note
- Highly Flammable/Corrosive/Harmful
- safety_code
- 26-28-36/37/39-45-36-28A-23-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302+H312-H314
- Excepted Quantities
- Not Permitted as Excepted Quantity
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A
- Autoignition Temperature
- 225 °C
- Precautionary statements
- P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
DescriptionN,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).
UsesIt finds its application as an intermediate in the synthesis of Cefotiam. It is also used as a catalyst in the synthesis of allylic nitro compounds.
UsesN,N-Dimethylethylenediamine is a bidentate ligand that can be used:To synthesize Schiff base ligands to prepare their zinc alkyl and zinc alkoxide complexes that initiate ring-opening polymerization of lactides.As a ligand to prepare copper azido polymers.In the synthesis of naphthalimides such as amonafide, an antitumor agent.As the receptor in building fluorescent signaling systems to perturb the photoinduced intramolecular electron transfer (PET) process from the nitrogen lone-pair to the fluorophore.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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