(3-Aminopropyl)diethanolamine

HCID 21088

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Basic information

CAS: 4985-85-7
Standard SMILES: NCCCN(CCO)CCO
InChIKey: FKJVYOFPTRGCSP-UHFFFAOYSA-N
Molecular formula: C7H18N2O2
Average molar mass: 162.23 g/mol
Monoisotopic mass: 162.13682782

Names & identifiers

Preferred name: (3-Aminopropyl)diethanolamine
IUPAC: 2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol
English name: N-(3-Aminopropyl)diethanolamine
Molecular formula: C7H18N2O2
Molecular weight: 162.23

Names & synonyms

(3-Aminopropyl)diethanolamineAminopropyldiethanolamine2,2'-[(3-Aminopropyl)imino]diethanolEthanol, 2,2'-[(3-aminopropyl)imino]bis-N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane2,2'-((3-Aminopropyl)imino)diethanolNSC 8172Ethanol, 2,2'-(aminopropylimino)-R21ZI8N14BAminopropyldiethanolamine (DOT)N-(3-Aminopropyl)iminodiethanolN,N-Bis(hydroxyethyl)-1,3-propanediamine

Show more names

WLN: Z3N2Q2QAMINOPROPYLDIETHANTIMTEC-BB SBB010437RARECHEM AL BW 0829Amifostine Impurity 12DIETHANOLAMINO PROPYLAMINEN-(3-AMINOPROPYL)DIETHANOAMINE

Ethanol, 2,2'-((3-aminopropyl)imino)di-Ethanol, 2,2'-((3-aminopropyl)imino)bis-NSC-8172EINECS 225-642-0AI3-52554EC 225-642-03-[bis(2-hydroxyethyl)amino]propylamineEthanol, 2,2'-[(3-aminopropyl)imino]di-

Database identifiers

CAS: 4985-85-7
PubChem CID: 21088
DTXSID: DTXSID2044680
ChEMBL: CHEMBL3186851
UNII: R21ZI8N14B
EC Number: 225-642-0
Nikkaji: J34.795G

Properties

Computed structural properties

XLogP: -1.7
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 11
Formal charge: 0
Complexity: 74

Physicochemical properties

Boiling point: 207 °C · 207 °C
Density: 1 · 1,07 g/cm3
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
refractive index: 1.4985 · 1.4985 (589.3 nm 27℃)
Flash point: 138 °C · 138°C
solubility: Soluble in water
form: clear liquid
pka: 14.4 · 14.40±0.10(Predicted)
color: Colorless to Light yellow
Water Solubility: 10 g/L · 10g/L at 20℃
LogP: -1.74 at · -1.74 at 25℃
CAS DataBase Reference: 4985 · 4985-85-7(CAS DataBase Reference)
FDA UNII: 21 ZI8N14B · R21ZI8N14B
EPA Substance Registry System: (3-Aminopropyl)diethanolamine (4985-85-7)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Hazard Codes: Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2922190090 · 2922190090
REACH Registrations: Active

Safety & regulation

Safety data

tsca: TSCA listed
ridadr: 2735
hs_code: 2922190090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314
REACH Registrations: Active
Precautionary statements: P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501

Chemistry & industry

Applications

UsesN-(3-Aminopropyl)diethanolamine acts as a potential coreactant for enhancing tris(2,2’-bipyridyl)ruthenium(II) electrochemiluminescence.

General DescriptionA colorless liquid with a faint fishlike odor. May burn though N-(3-AMINOPROPYL)DIETHANOLAMINE may require some effort to ignite. Corrosive to tissue. Produces toxic oxides of nitrogen during combustion.