Basic information
- CAS
5459-95-0- Standard SMILES
CCN(CC)CCCNC- InChIKey
SMJVVYQWUFKTKZ-UHFFFAOYSA-N- Molecular formula
- C8H20N2
- Average molar mass
- 144.26 g/mol
- Monoisotopic mass
- 144.16264864
Names & identifiers
- Preferred name
- N,N-Diethyl-N'-methyl-1,3-propanediamine
- IUPAC
- N',N'-diethyl-N-methylpropane-1,3-diamine
- English name
- N,N-Diethyl-N'-methyl-1,3-propanediamine
- Molecular formula
- C8H20N2
- Molecular weight
- 144.26
Names & synonyms
5459-95-0N,N-Diethyl-N'-methyl-1,3-propanediamineN1,N1-Diethyl-N3-methyl-1,3-propanediamine1,3-Propanediamine, N,N-diethyl-N'-methyl-1,3-Propanediamine, N1,N1-diethyl-N3-methyl-NSC 63116M3B47CVJ7N1,N1-diethyl-N3-methylpropane-1,3-diamineNSC-6311EINECS 226-734-3NSC 400873NSC-400873
Show more names
AKOS BC-1117diethyl-[3-(methylamino)propyl]amineN,N-diethyl-N'-methylpropane-1,3-diamine
UNII-6M3B47CVJ7DTXSID3063914METHYL(3-(DIETHYLAMINO)PROPYL)AMINEN,N-Diethyl-N'-methyl-1,3-diaminopropaneRefChem:161175DTXCID2041755226-734-3SMJVVYQWUFKTKZ-UHFFFAOYSA-N
Database identifiers
- CAS
5459-95-0- PubChem CID
- 79577
- DTXSID
DTXSID3063914- UNII
- 6M3B47CVJ7
- EC Number
- 226-734-3
- Nikkaji
- J210.520I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 60.3
Physicochemical properties
- FDA UNII
- 6 M3B47CVJ7 · 6M3B47CVJ7
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N-diethyl-N'-methyl- (5459-95-0)
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H314-H226
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- Xi
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS05
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H335-H302-H314-H226
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1,N1-diethyl-N3-methyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers9 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
武汉青风凯默生物医药科技有限公司18672943286 · [email protected]
Related reactions
9 records
Compound notes
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