Basic information
- CAS
111-37-5- Standard SMILES
CCNCCNC- InChIKey
MXJYVLYENVWKQX-UHFFFAOYSA-N- Molecular formula
- C5H14N2
- Average molar mass
- 102.18 g/mol
- Monoisotopic mass
- 102.11569846
Names & identifiers
- Preferred name
- 2,5-Diazaheptane
- IUPAC
- N'-ethyl-N-methylethane-1,2-diamine
- English name
- N-Ethyl-N'-methylethylenediamine
- Molecular formula
- C5H14N2
- Molecular weight
- 102.18
Names & synonyms
111-37-5N-Ethyl-N'-methylethylenediamine2,5-Diazaheptane1,2-Ethanediamine, N-ethyl-N'-methyl-Ethylenediamine, N-ethyl-N'-methyl-1,2-Ethanediamine, N1-ethyl-N2-methyl-3T5SW0FIL7N-methyl-N'-ethylethane-1,2-diamineEINECS 203-863-3UNII-3T5SW0FIL7NSC 166320NSC-166320
Show more names
ethyl(2-(methylamino)ethyl)amine[2-(ethylamino)ethyl](methyl)amineN-Methyl-N'-ethyl-1,2-ethanediamineN-Ethyl-N'-methyl-1,2-ethanediamineN-ethyl-N'-methylethane-1,2-diamineN-ethyl-N'-methyl-ethane-1,2-diamineN1-ethyl-N2-methylethane-1,2-diamine
AI3-26673DTXSID3059399N1-ETHYL-N2-METHYL-1,2-ETHANEDIAMINERefChem:82759DTXCID3033195Ethylenediamine, N-ethyl-N'-methyl-(8CI)203-863-3MXJYVLYENVWKQX-UHFFFAOYSA-N
Database identifiers
- CAS
111-37-5- PubChem CID
- 67104
- DTXSID
DTXSID3059399- UNII
- 3T5SW0FIL7
- EC Number
- 203-863-3
- Nikkaji
- J193.591G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 29.3
Physicochemical properties
- Boiling point
- 100 · 100-103°C
- Density
- 0.793 · 0.793±0.06 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.10(Predicted)
- FDA UNII
- 3 T5SW0FIL7 · 3T5SW0FIL7
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-ethyl-N'-methyl- (111-37-5)
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS02
- Signal word
- Danger
- Hazard statements
- 330 · H330-H314-H226
- Precautionary statements
- 501 · P501-P260-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
- TSCA
- TSCA listed
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
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS02
- Hazard statements
- H330-H314-H226
- Precautionary statements
- P501-P260-P240-P210-P233-P243-P241-P242-P271-P264-P280-P284-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1-ethyl-N2-methyl-: INACTIVE
Applications
UsesN-Ethyl-N''-methylethylenediamine is used as a reactant in the preparation of substituted indoles as PPAR-γ binding agents.
Suppliers9 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
天津易创成医药技术有限公司022-83946278 13820372920 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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