Dipropanolamine

HCID 106986

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Basic information

CAS: 14002-33-6
Standard SMILES: OCCCNCCCO
InChIKey: CXMYWOCYTPKBPP-UHFFFAOYSA-N
Molecular formula: C6H15NO2
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.11027872

Overview

See also: 1-Propanol, 3,3'-iminobis- (annotation moved to).

Names & identifiers

Preferred name: Dipropanolamine
IUPAC: 3-(3-hydroxypropylamino)propan-1-ol
English name: 3-(3-HYDROXY-PROPYLAMINO)-PROPAN-1-OL
Molecular formula: C6H15NO2
Molecular weight: 133.19

Names & synonyms

Iminodipropanol85305-25-5DipropanolamineRefChem:1083809DTXSID301056516286-662-314002-33-63,3'-Azanediylbis(propan-1-ol)3-(3-Hydroxy-propylamino)-propan-1-ol3-(3-hydroxypropylamino)propan-1-olPropanol, iminobis-MFCD00046013

Show more names

3-(3-Hydroxy-PropylaDi(3-hydroxylpropyl)amine3'-azanediyldipropan-1-ol1-Propanol,3,3'-iMinobis-3,3ˊ-isoaminobis-1-propanol

bis(3-hydroxypropyl)amine3,3'-azanediyldipropan-1-olEINECS 286-662-33-[(3-hydroxypropyl)amino]propan-1-olSELENIUdi-(3-hydroxypropyl) amineSCHEMBL486463,3'-Iminobis(1-propanol)

Database identifiers

CAS: 14002-33-6、68333-85-7、85305-25-5
PubChem CID: 106986
DTXSID: DTXSID40930695
EC Number: 286-662-3
Nikkaji: J27.964A

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 9
Formal charge: 0
Complexity: 44.3

Physicochemical properties

Boiling point: 185 · 185-188℃ (30-31 Torr)
Density: 1.013 · 1.013±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 14.73 · 14.73±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C6H15NO2/c8-5-1-3-7-4-2-6-9/h7-9H,1-6H2
InChIKey: CXMYWOCYTPKBPP-UHFFFAOYSA-N
SMILES: N(CCCO)CCCO
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338