Basic information
- Standard SMILES
CNCCN- InChIKey
KFIGICHILYTCJF-UHFFFAOYSA-N- Molecular formula
- C3H10N2
- Average molar mass
- 74.13 g/mol
- Monoisotopic mass
- 74.08439832
Names & identifiers
- Preferred name
- N-Methylethylenediamine
- IUPAC
- N'-methylethane-1,2-diamine
- English name
- N-Methylethylenediamine
- Molecular formula
- C3H10N2
- Molecular weight
- 74.12
Names & synonyms
N-Methylethylenediamine109-81-91,2-Ethanediamine, N-methyl-2-AminoethylmethylamineN-Methyl-1,2-ethanediamineN-MethyldiaminoethaneN-Methylethanediamine2-(Methylamino)ethylamineN-MethylethylidenediamineETHYLENEDIAMINE, N-METHYL-V3P6B23FWKBRN 0878141
Show more names
N1-Methylethane-1,2-diaMine2-METHYLAMINOETHYLAMINERARECHEM AL BW 0523n-methyl-ethylenediaminN-METHYL-ETHYLENDIAMINE
1,2-Ethanediamine, N1-methyl-EINECS 203-707-4AI3-26642DTXSID50593774-04-00-01170 (Beilstein Handbook Reference)NMethyldiaminoethaneNMethylethanediamine2Aminoethylmethylamine
Database identifiers
- CAS
109-81-9- PubChem CID
- 8014
- DTXSID
DTXSID5059377- UNII
- V3P6B23FWK
- EC Number
- 203-707-4
- Nikkaji
- J93.028H
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 14.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionColorless liquid with an odor like amines; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 114 · 114-117 °C (lit.)
- Density
- 0.85 g/mL · 0.85 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.4395(lit.)
- Flash point
- 106 °F · 106 °F
- storage temp.
- Flammables area
- form
- Liquid
- pka
- 1 · pK1:6.86(+1);pK2:10.15(+1) (25°C)
- color
- Clear colorless to slightly yellow
- Sensitive
- Air Sensitive & Hygroscopic
- BRN
- 878141 · 878141
- InChI
- InChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3
- InChIKey
- KFIGICHILYTCJF-UHFFFAOYSA-N
- SMILES
- C(NC)CN
- CAS DataBase Reference
- 109 · 109-81-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 P6B23FWK · V3P6B23FWK
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-methyl- (109-81-9)
- 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 · 10-34-37
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 5250500 · KV5250500
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- 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,50mg/kg (50mg/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 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 50 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KV5250500
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29212900
- Toxicity
- mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.
- risk_code
- 10-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- 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
General Manufacturing Information1,2-Ethanediamine, N1-methyl-: ACTIVE
Applications
UsesN-Methylethylenediamine undergoes condensation with pyridine-2-carboxaldehyde to form an imine.
General DescriptionN-Methylethylenediamine undergoes condensation with pyridine-2-carboxaldehyde to form an imine. It reacts with isoquinoline-5-sulfonyl chloride to form N-(2-aminoethyl)-N-methyl-isoquinoline-5-sulfonamide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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