Propanolamine ethyl ether
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Basic information
- CAS
6291-85-6- Standard SMILES
CCOCCCN- InChIKey
SOYBEXQHNURCGE-UHFFFAOYSA-N- Molecular formula
- C5H13NO
- Average molar mass
- 103.16 g/mol
- Monoisotopic mass
- 103.09971404
Names & identifiers
- Preferred name
- Propanolamine ethyl ether
- IUPAC
- 3-ethoxypropan-1-amine
- English name
- 3-Ethoxypropylamine
- Molecular formula
- C5H13NO
- Molecular weight
- 103.16
Names & synonyms
3-Ethoxypropylamine6291-85-63-Ethoxy-1-propanamine1-Propanamine, 3-ethoxy-3-Ethoxy-1-propylaminePROPYLAMINE, 3-ETHOXY-Propanolamine ethyl etherNSC 8162EINECS 228-545-1BRN 17322876N532BD0B2NSC-8162
Show more names
3EOPA3-EthoxypropyLFENTAMINE OPA-23-ethoxy-propylaminRARECHEM AL BW 02323-Ethoxypropanamine3-Ethoxy-1-propanami3-ethoxy-1-propanamin
EC 228-545-1DTXSID0064202(3-(ETHYLOXY)PROPYL)AMINE[3-(ethyloxy)propyl]amineRefChem:869591DTXCID7043588228-545-13-ethoxypropan-1-amine
Database identifiers
- CAS
6291-85-6- PubChem CID
- 22720
- DTXSID
DTXSID0064202- UNII
- 6N532BD0B2
- EC Number
- 228-545-1
- Nikkaji
- J51.136F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 31.3
Physicochemical properties
- Melting point
- -70 °C · -70 °C
- Boiling point
- 136 · 136-138 °C (lit.)
- Density
- 0.861 g/mL · 0.861 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.418(lit.)
- Flash point
- 91 °F · 91 °F
- storage temp.
- Flammables area
- pka
- 9.79 · 9.79±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- PH
- 12 · 12 (100g/l, H2O, 20℃)
- explosive limit
- 0.8 · 0.8-8.1%(V)
- Water Solubility
- miscible
- BRN
- 1732287 · 1732287
- InChI
- 1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3
- InChIKey
- SOYBEXQHNURCGE-UHFFFAOYSA-N
- SMILES
- CCOCCCN
- CAS DataBase Reference
- 6291 · 6291-85-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 N532BD0B2 · 6N532BD0B2
- NIST Chemistry Reference
- 1 · 1-Propanamine, 3-ethoxy-(6291-85-6)
- EPA Substance Registry System
- 1 · 1-Propanamine, 3-ethoxy- (6291-85-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302+H332-H314
- Precautionary statements
- 210 · P210-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-22-34-35
- Safety Statements
- 26 · 26-36/37/39-45-36-28A-23-16
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 1 · 1
- RTECS
- 2700000 · UI2700000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29221990 · 29221990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 InhalationAcute · Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- REACH Registrations
- Inactive
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanamine, 3-ethoxy-
Status: No longer Valid Update: 22-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11435
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UI2700000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29221990
- risk_code
- 10-22-34-35
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45-36-28A-23-16
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302+H332-H314
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanamine, 3-ethoxy-: ACTIVE
Applications
UsesIt is employed as an intermediate used in the production of dyestuff and cosmetics. It is also used to partially open the rigid oxetane chain and to identify Hsp70 modulators.
Upstream & downstream products
Downstream products
Related reactions
53 records
Compound notes
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