1-Propylethylenediamine
Basic information
- CAS
111-39-7- Standard SMILES
CCCNCCN- InChIKey
CFNHVUGPXZUTRR-UHFFFAOYSA-N- Molecular formula
- C5H14N2
- Average molar mass
- 102.18 g/mol
- Monoisotopic mass
- 102.11569845
Names & identifiers
- Preferred name
- 1-Propylethylenediamine
- IUPAC
- N'-propylethane-1,2-diamine
- English name
- N-(N-Propyl)ethylenediamine
- Molecular formula
- C5H14N2
- Molecular weight
- 102.18
Names & synonyms
N-(N-Propyl)Ethylenediamine111-39-7N-Propylethylenediamine1,2-Ethanediamine, N-propyl-Ethylenediamine, N-propyl-1-propylethylenediamine1,2-Ethanediamine, N1-propyl-27PM61K8YHEINECS 203-864-9NSC 166324NSC-166324n1-propyl-1,2-ethanediamine
Show more names
2-PROPYLAMINOETHYLAMINEPropyl(2-aminoethyl)amineN-Propylethane-1,2-diamineN-Propyl-1,2-ethanediamineN1-propylethane-1,2-diaMineN-Propylethylenediamine,99%2-(N-PROPYLAMINO)ETHYLAMINE
DTXSID5059400RefChem:436482DTXCID8033196Ethylenediamine, N-propyl-(8CI)203-864-9N'-propylethane-1,2-diamineMFCD00008172(2-aminoethyl)(propyl)amine
Database identifiers
- CAS
111-39-7- PubChem CID
- 66073
- DTXSID
DTXSID5059400- UNII
- 27PM61K8YH
- EC Number
- 203-864-9
- Nikkaji
- J193.592E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 29.3
Physicochemical properties
- Melting point
- -30.89 °C · -30.89°C (estimate)
- Boiling point
- 147 · 147-150 °C (lit.)
- Density
- 0.829 g/mL · 0.829 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.441(lit.)
- Flash point
- 59 °F · 59 °F
- storage temp.
- Flammables area
- form
- Liquid
- pka
- 10.26 · 10.26±0.19(Predicted)
- color
- Clear colorless
- Sensitive
- Air Sensitive
- BRN
- 1697232 · 1697232
- InChI
- 1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3
- InChIKey
- CFNHVUGPXZUTRR-UHFFFAOYSA-N
- SMILES
- CCCNCCN
- FDA UNII
- 27 PM61K8YH · 27PM61K8YH
- EPA Substance Registry System
- 1 · 1,2-Ethanediamine, N-propyl- (111-39-7)
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
H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29212900
- risk_code
- 10-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,C,F
- safety_code
- 23
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Ethanediamine, N1-propyl-: INACTIVE
Applications
UsesN-Propylethylenediamine was used in the synthesis of N-acetyl-N′-propylethylenediamine.
General DescriptionN-Propylethylenediamine columns help in quantitatively removing Cu(2+) from buffered solutions at pH 6.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
Loading…