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N,N-Bis(2-hydroxypropyl)aniline
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Name

N,N-Bis(2-hydroxypropyl)aniline

 EINECS 221-360-7
CAS No. 3077-13-2 Density 1.106 g/cm3
PSA 43.70000 LogP 1.25460
Solubility N/A Melting Point N/A
Formula C12H19NO2 Boiling Point 358.5 °C at 760 mmHg
Molecular Weight 209.288 Flash Point 180.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3077-13-2 (N,N-BIS(2-HYDROXYPROPYL)ANILINE) Hazard Symbols N/A
Synonyms

2-Propanol,1,1'-(phenylimino)di- (7CI,8CI);Isonol 100;Isonol C 100;Isonol N 100;N,N-Bis(2-hydroxypropyl)aniline;N,N-Di(2-hydroxypropyl)aniline;NSC 166506;

Article Data 10

N,N-Bis(2-hydroxypropyl)aniline Synthetic route

62-53-3

aniline

75-56-9, 16033-71-9

methyloxirane

A

3233-06-5

1-anilino-propan-2-ol

B

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

Conditions
ConditionsYield
With zinc(II) bis(tetrafluoroborate) hydrate at 20℃; for 0.333333h; Inert atmosphere; Neat (no solvent);A 97%
B n/a
With ferrocenium(III) tetrafluoroborate In neat (no solvent) at 0 - 25℃; for 7h; regioselective reaction;A 74%
B 19%
With water at 100℃;
996-21-4

1-iodopropan-2-ol

62-53-3

aniline

A

3233-06-5

1-anilino-propan-2-ol

B

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

Conditions
ConditionsYield
With triethylamine In methanol for 4h; Reflux;A 60%
B 2.5%
62-53-3

aniline

75-56-9, 16033-71-9

methyloxirane

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

Conditions
ConditionsYield
With 1,4-dioxane at 170℃;
17639-93-9

2-chloro-propionic acid methyl ester

62-53-3

aniline

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

Conditions
ConditionsYield
With lithium aluminium tetrahydride Multistep reaction;
108-32-7

1,2-propylene cyclic carbonate

62-53-3

aniline

A

109605-09-6

2,6-dimethyl-4-phenylmorpholine

B

16955-09-2

2-anilino-1-propanol

C

3233-06-5

1-anilino-propan-2-ol

D

1258887-18-1

2,5-dimethyl-4-phenylmorpholine

E

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

F

129118-34-9

N-(2-hydroxypropyl)-N-(2-hydroxy-1-methylethyl)aniline

Conditions
ConditionsYield
With tri-n-octyl(methyl)phosphonium bromide at 170℃; for 40h; Ionic liquid; Neat (no solvent);
...Expand
3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

144967-39-5

diisopropoxydivinylsilane

144967-47-5

2,2-divinyl-4,8-dimethyl-6-phenyl-1,3-dioxa-6-aza-2-silacyclooctane

Conditions
ConditionsYield
With sodium methylate In 1,4-dioxane; methanol Heating;50%
3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

67-64-1

acetone

2,2,4,8-Tetramethyl-6-phenyl-[1,3,6]dioxazocane

Conditions
ConditionsYield
With 3 A molecular sieve In dichloromethane Ambient temperature;42%
75-44-5

phosgene

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

A

93371-13-2

4,8-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,6-dioxazocin-2-one

93371-13-2, 93371-14-3

4,8-Dimethyl-6-phenyl-5,6,7,8-tetrahydro-4H-1,3,6-dioxazocin-2-one

Conditions
ConditionsYield
With pyridine In ethyl acetateA 19%
B 26%
50-00-0

formaldehyd

3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

13364-26-6

bis-{4-[bis-(2-hydroxy-propyl)-amino]-phenyl}-methane

Conditions
ConditionsYield
With hydrogenchloride; ethanol
3077-13-2

N-phenyl-bis-(2-hydroxypropyl)amine

109605-09-6

2,6-dimethyl-4-phenylmorpholine

Conditions
ConditionsYield
With sulfuric acid at 160℃;

N,N-Bis(2-hydroxypropyl)aniline Specification

The N,N-Bis(2-hydroxypropyl)aniline, with the CAS registry number 3077-13-2 and EINECS registry number 221-360-7, has the systematic name of 1,1'-(phenylimino)dipropan-2-ol and IUPAC name of 1-[N-(2-hydroxypropyl)anilino]propan-2-ol. The molecular formula of the chemical is C12H19NO2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 7.69; (6)ACD/BCF (pH 7.4): 8.2; (7)ACD/KOC (pH 5.5): 147.08; (8)ACD/KOC (pH 7.4): 156.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 62.08 cm3; (15)Molar Volume: 189.2 cm3; (16)Polarizability: 24.61×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 63.73 kJ/mol; (21)Boiling Point: 358.5 °C at 760 mmHg; (22)Vapour Pressure: 9.19E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(C)CN(c1ccccc1)CC(O)C
(2)InChI: InChI=1/C12H19NO2/c1-10(14)8-13(9-11(2)15)12-6-4-3-5-7-12/h3-7,10-11,14-15H,8-9H2,1-2H3
(3)InChIKey: FKOMNQCOHKHUCP-UHFFFAOYAW

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