2-(4-Aminopentyl(ethyl)amino)ethanol
Basic information
- CAS
69559-11-1- Standard SMILES
CCN(CCO)CCCC(C)N- InChIKey
XUVXSSOPXQRCGL-UHFFFAOYSA-N- Molecular formula
- C9H22N2O
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.17321333
Names & identifiers
- Preferred name
- 2-(4-Aminopentyl(ethyl)amino)ethanol
- IUPAC
- 2-[4-aminopentyl(ethyl)amino]ethanol
- English name
- 2-(4-Aminopentyl(ethyl)amino)ethanol
- Molecular formula
- C9H22N2O
- Molecular weight
- 174.28
Names & synonyms
2-(4-Aminopentyl(ethyl)amino)ethanol2-[4-aminopentyl(ethyl)amino]ethanolEINECS 274-039-92-[(4-Aminopentyl)ethylamino]ethanol2-((4-Aminopentyl)ethylamino)ethanolRefChem:456683274-039-969559-11-12-((4-Aminopentyl)(ethyl)amino)ethanol5-(N-ethyl-N-2-hydroxyethylamino)-2-penthlamine2-[(4-aminopentyl)(ethyl)amino]ethanolMFCD03788185
Show more names
HydroxynovaldiamineHYDROXYNOVOLDIAMINE5-(N-ETHYL-N-2-HYDROXYETHYLAMINO)-2-PENTLAMINEHydroxychloroquine Side ChainHydroxychloroquine Impurity 106-amino-2-(ethylamino)-1-heptanol4-aMino-7-(ethylaMino)heptan-1-ol
5-(N-ethyl-n-2-hydroxyethylamino)-2-pentylamineHydroxychloroquine Impurity 232-[(4-aminopentyl)(ethyl)amino]ethan-1-olHydroxychloroquine impurity 80Ethanol, 2-[(4-aminopentyl)ethylamino]-Ethyl-N-2-hydroxyethylamino)-2-penthlamine2-((4-Aminopentyl)(ethyl)amino)ethan-1-olracemic 2-[(4-aminopentyl)ethylamino]-ethanol
Database identifiers
- CAS
69559-11-1- PubChem CID
- 112288
- DTXSID
DTXSID90989592- UNII
- F79D4A39YW
- EC Number
- 274-039-9
- Nikkaji
- J318.001H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 98.5
Physicochemical properties
- Boiling point
- 93 °C · 93 °C(Press: 0.6 Torr)
- Density
- 0.935 · 0.935
- refractive index
- 1.47 · 1.470-1474
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 14.76 · 14.76±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H22N2O/c1-3-11(7-8-12)6-4-5-9(2)10/h9,12H,3-8,10H2,1-2H3
- InChIKey
- XUVXSSOPXQRCGL-UHFFFAOYSA-N
- SMILES
- C(O)CN(CCCC(N)C)CC
- CAS DataBase Reference
- 69559 · 69559-11-1(CAS DataBase Reference)
- FDA UNII
- 79 D4A39YW · F79D4A39YW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
H302 (58.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 17 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(4-aminopentyl(ethyl)amino)ethanol (EC: 274-039-9)
Hazard Classes and CategoriesAcute Tox. 4 (58.8%)
Safety data
- ridadr
- UN2735
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- Hazard statements
- H302-H312-H332
- 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)
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Applications
Uses2-(4-Aminopentyl(ethyl)amino)ethanol is a colorless and pure liquid that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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