Basic information
- Name:
Diisopropanol-p-toluidine
- Superlist Name:
- 1,1'-((4-Methylphenyl)imino)bis-2-propanol
- CAS No.:
38668-48-3
- Molecular Structure:
- Formula:
- C13H21NO2
- Molecular Weight:
- 223.31134
- Synonyms:
- 2-Propanol,1,1'-(p-tolylimino)di- (7CI);2-Propanol,1,1'-[(4-methylphenyl)imino]bis-;N,N-Bis(2-hydroxypropyl)-p-toluidine;
- EINECS:
- 254-075-1
- Density:
- 1.086 g/cm3
- Boiling Point:
- 389 °C at 760 mmHg
- Flash Point:
- 198.8 °C
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Chemistry
Molecule structure of Diisopropanol-p-toluidine (CAS NO.38668-48-3):
IUPAC Name: 1-[N-(2-Hydroxypropyl)-4-methylanilino]propan-2-ol
Molecular Weight: 223.31134 g/mol
Molecular Formula: C13H21NO2
Density: 1.086 g/cm3
Boiling Point: 389 °C at 760 mmHg
Flash Point: 198.8 °C
Index of Refraction: 1.564
Molar Refractivity: 66.9 cm3
Molar Volume: 205.4 cm3
Surface Tension: 45.7 dyne/cm
Enthalpy of Vaporization: 67.32 kJ/mol
Vapour Pressure: 9.5E-07 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 223.157229
MonoIsotopic Mass: 223.157229
Topological Polar Surface Area: 43.7
Heavy Atom Count: 16
Canonical SMILES: CC1=CC=C(C=C1)N(CC(C)O)CC(C)O
InChI: InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3
InChIKey: JFZVSHAMRZPOPA-UHFFFAOYSA-N
EINECS of Diisopropanol-p-toluidine (CAS NO.38668-48-3): 254-075-1
Safety Profile
RIDADR: 2811
HazardClass: 6.1(b)
PackingGroup: III
Specification
Diisopropanol-p-toluidine (CAS NO.38668-48-3) is also named as N,N-Bis(2-hydroxypropyl)-p-toluidine ; 1,1'-(p-Tolylimino)dipropan-2-ol ; 2-Propanol, 1,1'-((4-methylphenyl)imino)bis- .