Basic information
- CAS
622-93-5- Standard SMILES
CCN(CC)CCCO- InChIKey
WKCYFSZDBICRKL-UHFFFAOYSA-N- Molecular formula
- C7H17NO
- Average molar mass
- 131.22 g/mol
- Monoisotopic mass
- 131.13101417
Names & identifiers
- Preferred name
- 3-(Diethylamino)-1-propanol
- IUPAC
- 3-(diethylamino)propan-1-ol
- English name
- 3-DIETHYLAMINO-1-PROPANOL
- Molecular formula
- C7H17NO
- Molecular weight
- 131.22
Names & synonyms
Show more names
Database identifiers
- CAS
622-93-5- PubChem CID
- 12159
- DTXSID
DTXSID1060762- UNII
- U57YOW5553
- EC Number
- 210-759-1
- Nikkaji
- J79.759F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52
Physicochemical properties
- Melting point
- -12.63 °C · -12.63°C (estimate)
- Boiling point
- 81 · 81-83 °C/15 mmHg (lit.)
- Density
- 0.884 g/mL · 0.884 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4435(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 15.02 · 15.02±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to yellow
- InChI
- 1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3
- InChIKey
- WKCYFSZDBICRKL-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCCO
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 57 YOW5553 · U57YOW5553
- EPA Substance Registry System
- 1 · 1-Propanol, 3-(diethylamino)- (622-93-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 1480000 · UB1480000
- TSCA
- TSCA listed
- HS Code
- 29221985 · 29221985
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 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
Regulatory information
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UB1480000
- hs_code
- 29221985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
Applications
Uses3-Diethylamino-1-propanol was used to develop a model system that polymerizes racemic lactide (D,L-LA).
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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