Compound: DIISOPROPANOLAMINE
SMILES: OC(CNCC(O)C)C
InChIKey: LVTYICIALWPMFW-UHFFFAOYSA-N
Synonyms: DIISOPROPANOLAMINE, 110-97-4, Bis(2-hydroxypropyl)amine, Bis(2-propanol)amine, 1,1'-Iminodi-2-propanol, 2-Propanol, 1,1'-iminobis-, Di-2-propanolamine, di-isopropanolamine, DIPA (alcohol), Dipropyl-2,2'-dihydroxy-amine, N,N-Bis(2-hydroxypropyl)amine, 1,1'-Iminobis-2-propanol, 2-Propanol, 1,1'-iminodi-, NSC-4963, 0W44HYL8T5, DTXSID8020179, DTXCID20179, 1,1'-Iminobis[2-propanol], CHEBI:143266, 1,1'-IMINOBIS(2-PROPANOL), 203-820-9, RefChem:587848, 1,1'-Iminodipropan-2-ol, 1-[(2-hydroxypropyl)amino]propan-2-ol, 1-(2-hydroxypropylamino)propan-2-ol, 1,1'-Azanediylbis(propan-2-ol), 2-Propanol,1,1'-iminobis-, NSC 4963, MFCD00004531, 1,1'-azanediyldi(propan-2-ol), diisopropanolamin, CAS-110-97-4, CCRIS 6234, HSDB 338, di(2-hydroxypropyl)amine, EINECS 203-820-9, DI-ISOPROPANOL AMINE, BRN 0605363, UNII-0W44HYL8T5, DIPA alcohol, diiso-propanolamine, diisopropanol amine, 2-Propanol,1'-iminodi-, 2-Propanol,1'-iminobis-, bis-(2-hydroxypropyl)amine, EC 203-820-9, bis-(2-hydroxypropyl)-amine, SCHEMBL22774, 1335-54-2, 3-04-00-00761 (Beilstein Handbook Reference), Di(2-hydroxy-n-propyl) amine, DIISOPROPANOLAMINE [II], DIISOPROPANOLAMINE [MI], 1,1'-Imino-di(2-propanol), SCHEMBL1536086, CHEMBL2106303, 1,1'-azanediylbis propan-2-ol, DIISOPROPANOLAMINE [HSDB], DIISOPROPANOLAMINE [VANDF], NSC4963, WLN: QY1 & 1M1YQ1, DIISOPROPANOLAMINE [MART.], Tox21_201602, Tox21_302859, BBL013266, SBB058768, STK503623, AKOS005457854, DIPA low freeze grade 85 (Salt/Mix), DIPA low freeze grade 90 (Salt/Mix), NCGC00249081-01, NCGC00256476-01, NCGC00259151-01, VS-03726, Diisopropanolamine(DL- and meso- mixture), Bis(2-hydroxypropyl)amine, >=98.0% (T), D0924, NS00001427, ST51037928, EN300-722418, F240941, Q777543, F0001-0230, 1,1'-Azanediylbis(propan-2-ol) (DL- and meso- mixture), 9AFD2C98-2177-4499-8EB2-1C8EA079F21D
Theoretical properties:
molecular_formula: C6H15NO2
molecular_weight: 133.19 g/mol
exact_mass: 133.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 9
topological_polar_surface_area: 52.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White waxy solid
color: White waxy solid
boiling_point: 480.2 °F at 760 mmHg (NTP, 1992)
melting_point: 107.6 °F (NTP, 1992)
density: 0.99 at 107.6 °F (USCG, 1999) - Less dense than water; will float
solubility: Soluble (>=10 mg/ml) (NTP, 1992)
flash_point: 259 °F (NTP, 1992)
vapor_pressure: 0.02 mmHg at 108 °F (NTP, 1992)
Descriptions:
pubchem: Diisopropanolamine is a secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products. It has a role as a surfactant, a buffer and an emulsifier. It is an aminodiol, a secondary alcohol and a secondary amino compound. It is functionally related to a 1-aminopropan-2-ol.
chebi: A secondary amino compound that is diethanolamine substituted by methyl groups at positions 1 and 1'. It is a versatile chemical used in a variety of personal care, cosmetic and industrial products.
chembl: DIISOPROPANOLAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Diisopropanolamine is a chemical compound with the molecular formula C6H15NO2, used as an emulsifier, stabilizer, and chemical intermediate.
Diisopropanolamine can be prepared by the reaction of isopropanolamine or ammonia with propylene oxide.