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N,N'-Dimethylethylenediamine

HCID 8070
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
110-70-3
Standard SMILES
CNCCNC
InChIKey
KVKFRMCSXWQSNT-UHFFFAOYSA-N
Molecular formula
C4H12N2
Average molar mass
88.15 g/mol
Monoisotopic mass
88.10004839

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

110-70-3N,N'-DimethylethylenediamineN,N'-dimethylethane-1,2-diamineDimethylethylenediamineN,N'-DimethyldiaminoethaneETHYLENEDIAMINE, N,N'-DIMETHYL-JBC5EX42TLDTXSID4058730RefChem:588553DTXCID2032423203-793-3N1,N2-Dimethylethane-1,2-diamine
Show more names
DMEN1,2-Dimethylethylenediaminen,n’-dimethylethanediamine
1,2-Bis(methylamino)ethaneN,N'-Dimethyl-1,2-ethanediamineN,N'-Dimethylethanediamine1,2-Ethanediamine, N,N'-dimethyl-2,5-Diazahexanesym-DimethylethylenediamineDMEDAmethyl[2-(methylamino)ethyl]amine

Database identifiers

CAS
110-70-3
PubChem CID
8070
DTXSID
DTXSID4058730
UNII
JBC5EX42TL
EC Number
203-793-3
Nikkaji
J25.736B

Properties

Computed structural propertiesFilling in

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

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesOptical coefficient
LogP-0.62
Vapor Pressure20.6 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

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.

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 · 4 items

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

Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.9%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

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.

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1,N2-dimethyl-: ACTIVE
Applications · 2 items

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

1,3-DIMETHYL-2-(2-FURYL)IMIDAZOLIDINE5-FORMYL-2-FURANCARBOXYLIC ACIDSALOR-INT L169811-1EAN,N'-Dimethylpiperazine4-AMINO-3,5-DIMETHYL-BENZONITRILEnicotinic anhydride1-PiperazinecarbaldehydeN,N,N',N'-TetramethylethylenediamineN,N-Dimethylethylenediamine3-[2-(2-cyanoethyl-methyl-amino)ethyl-methyl-amino]propanenitrile

Related reactions

1,398 records
New reaction record
HRID 12553 reaction equation
HRID 12553As reactantuspto-grants-2010_06
HRID 12554 reaction equation
HRID 12554As reactantuspto-grants-2010_06
HRID 12555 reaction equation
HRID 12555As reactantuspto-grants-2010_06
HRID 12556 reaction equation
HRID 12556As reactantuspto-grants-2010_06
HRID 12557 reaction equation
HRID 12557As reactantuspto-grants-2010_06
HRID 12567 reaction equation
HRID 12567As reactantuspto-grants-2010_06
HRID 12568 reaction equation
HRID 12568As reactantuspto-grants-2010_06
HRID 15857 reaction equation
HRID 15857As reactantuspto-grants-2010_06
Page 1 of 175

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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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)
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
Acetonitrile, (1,3-dimethyl-2-imidazolidinylidene)- (9CI)