N-(2-aminoethyl)-1,3-propanediamine
Basic information
- CAS
13531-52-7- Standard SMILES
NCCCNCCN- InChIKey
DTSDBGVDESRKKD-UHFFFAOYSA-N- Molecular formula
- C5H15N3
- Average molar mass
- 117.19 g/mol
- Monoisotopic mass
- 117.12659749
Names & identifiers
- Preferred name
- N-(2-aminoethyl)-1,3-propanediamine
- IUPAC
- N'-(2-aminoethyl)propane-1,3-diamine
- English name
- N-(2-AMINOETHYL)-1,3-PROPANEDIAMINE
- Molecular formula
- C5H15N3
- Molecular weight
- 117.19
Names & synonyms
N-(2-Aminoethyl)-1,3-propanediamine13531-52-73-(AMINOPROPYL)ETHYLENEDIAMINE3-azahexane-1,6-diamine1,3-Propanediamine, N-(2-aminoethyl)-1,4,8-triazaoctaneEINECS 236-882-04EOW03IX8S1,3-Propanediamine, N1-(2-aminoethyl)-1,6-DIAMINO-3-AZAHEXANEN3 AMINEDTXSID9065522
Show more names
N3-AMINEN-(2-AMINOETHYL)-1,3N-(3-Aminopropyl)ethylenediamine3-(2-AMINOETHYLAMINO)PROPYLAMINEn-(2-aminoethyl)-3-propanediamine(2-Aminoethyl)(3-aminopropyl)amine3-Propanediamine,N-(2-aminoethyl)-1
EC 236-882-03-((2-AMINOETHYL)AMINO)PROPYLAMINEN-(3-AMINOPROPYL)-1,2-DIAMINOETHANERefChem:824889DTXCID0034308236-882-0N1-(2-Aminoethyl)propane-1,3-diamineN'-(2-aminoethyl)propane-1,3-diamine
Database identifiers
- CAS
13531-52-7- PubChem CID
- 26091
- DTXSID
DTXSID9065522- ChEMBL
CHEMBL1213267- UNII
- 4EOW03IX8S
- EC Number
- 236-882-0
- Nikkaji
- J25.729J
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 38.7
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 10 °C · 10 °C
- Boiling point
- 221 °C · 221 °C
- Density
- 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
- vapor pressure
- 3.6 Pa · 3.6Pa at 20℃
- refractive index
- 20 · n20/D 1.4815(lit.)
- Flash point
- 205 °F · 205 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- liquid
- pka
- 10.17 · 10.17±0.10(Predicted)
- PH
- 7 · >7 (H2O, 20℃)
- explosive limit
- 1 · 1.0-8.1%(V)
- InChI
- 1S/C5H15N3/c6-2-1-4-8-5-3-7/h8H,1-7H2
- InChIKey
- DTSDBGVDESRKKD-UHFFFAOYSA-N
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 (65.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 185 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Propanediamine, N-(2-aminoethyl)-
REACH registered substance: N-(2-aminoethyl)-1,3-propanediamine (EC: 236-882-0)
1,3-Propanediamine, N-(2-aminoethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (65.4%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 2921290090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- C
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1-(2-aminoethyl)-: ACTIVE
Applications
UsesN-(2-Aminoethyl)-1,3-propanediamine has been used as a templating agent in the synthesis of a new open framework iron(III) phosphite {(C5H18N3)[Fe3(HPO3)6].3H2O}. It has also been used in the preparation of dinitrocobalt(III) compound: (11-amino-4-methyl-5,8-diazaundeca-2,4-dien-2-olato-kappa4N(5,8,11),O)-dinitrocobalt(III), [Co(C10H20N3O)(NO2)2].
Related reactions
6 records
Compound notes
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