Basic information
- CAS
41365-75-7- Standard SMILES
CCOC(CCN)OCC- InChIKey
PXXMSHBZYAOHBD-UHFFFAOYSA-N- Molecular formula
- C7H17NO2
- Average molar mass
- 147.22 g/mol
- Monoisotopic mass
- 147.12592879
Names & identifiers
- Preferred name
- 1-Amino-3,3-diethoxypropane
- IUPAC
- 3,3-diethoxypropan-1-amine
- English name
- 1-Amino-3,3-diethoxypropane
- Molecular formula
- C7H17NO2
- Molecular weight
- 147.22
Names & synonyms
Show more names
Database identifiers
- CAS
41365-75-7- PubChem CID
- 521029
- DTXSID
DTXSID60334535- ChEBI
CHEBI:228279- EC Number
- 627-108-6
- Nikkaji
- J254.881J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 62
Physicochemical properties
- Boiling point
- 72 °C · 72 °C (12.0016 mmHg)
- Density
- 0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
- refractive index
- 1.4233 · 1.4233-1.4253
- Flash point
- 78 °C · 78 °C
- storage temp.
- room temp
- solubility
- Soluble in water, alcohol, and petroleum ether.
- pka
- 8.92 · 8.92±0.13(Predicted)
- form
- liquid
- color
- Clear colorless to yellow
- biological source
- synthetic (organic)
- Water Solubility
- water: miscible
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3
- InChIKey
- PXXMSHBZYAOHBD-UHFFFAOYSA-N
- SMILES
- C(N)CC(OCC)OCC
- CAS DataBase Reference
- 41365 · 41365-75-7(CAS DataBase Reference)
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 3267 · UN 3267 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- I
- HS Code
- 29221985 · 29221985
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 L · 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)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3267 8/PG 2
- hs_code
- 29221985
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- I
- Hazard statements
- H314
- 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)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses1-Amino-3,3-diethoxypropane has been used:with alginate in the preparation of hydrogelin the generation of polyethylene glycol (PEG) polyethylenimine (PEI) polyplexes conjugate for transfection studies in hepatocellular carcinoma cell culturesas a component of pH-sensitive PEG derivative for lipopolyplexes formation
General Description1-Amino-3,3-diethoxypropane is an effective modulator of alginate and chitosan based hydrogels and effectively used for the delivery of bone marrow stromal cells (BMSCs) for regeneration of cartilage.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
Related reactions
Compound notes
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