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| CAS No.: | 6452-57-9 |
|---|---|
| Name: | 3-(ISOPROPYLAMINO)-1,2-PROPANEDIOL |
| Molecular Structure: | |
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| Formula: | C6H15NO2 |
| Molecular Weight: | 133.191 |
| Synonyms: | 1,2-Propanediol,3-(isopropylamino)- (8CI);1,2-Dihydroxy-3-isopropylaminopropane;3-Isopropylamino-1,2-propanediol;3-(Propan-2-ylamino)propane-1,2-diol; |
| EINECS: | 229-255-8 |
| Density: | 1.007 g/cm3 |
| Boiling Point: | 254.4 °C at 760 mmHg |
| Flash Point: | 118.4 °C |
| PSA: | 52.49000 |
| LogP: | -0.27150 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| In ethanol for 3h; Ambient temperature; | |
| In isopropyl alcohol 1.) 70 deg C, 1.5 h, 2.) RT, 15 h; | |
| at 25℃; | 53 g |
- 51384-51-1
(RS)-metoprolol
A
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
G
- 29121-23-1
methyl (±)-2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetate
H
- 110458-45-2
3-<4-(methylacetyl)phenoxy>-1-(isopropylamino)-2-propanol
| Conditions | Yield |
|---|---|
| With titanium(IV) oxide; oxygen pH=4 - 7; Kinetics; Reagent/catalyst; UV-irradiation; |
- 51384-51-1
(RS)-metoprolol
A
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
F
- 29121-23-1
methyl (±)-2-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)acetate
G
- 110458-45-2
3-<4-(methylacetyl)phenoxy>-1-(isopropylamino)-2-propanol
| Conditions | Yield |
|---|---|
| With P25; dihydrogen peroxide; oxygen pH=5 - 7; Kinetics; Reagent/catalyst; UV-irradiation; |
- 525-66-6
propranolol
A
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
G
- 84418-31-5
N-hydroxypropranolol
H
- 88-99-3
benzene-1,2-dicarboxylic acid
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In aq. phosphate buffer at 20℃; Kinetics; Reagent/catalyst; UV-irradiation; Photolysis; |
A
- 41063-31-4
1-(isopropylamino)-2-propanol
B
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
E
- 32136-81-5
alpha-methoxy-4-hydroxyacetophenone
| Conditions | Yield |
|---|---|
| With 1at% Cu-doped TiO2 at 25℃; for 0.583333h; pH=Ca. 5.6; Reagent/catalyst; UV-irradiation; |
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
- 177034-57-0
4-(2-isopropoxy-ethoxymethyl)-phenol
| Conditions | Yield |
|---|---|
| With diamide In dichloromethane at 25℃; Solvent; Temperature; Inert atmosphere; | 92% |
- 28141-24-4
4-hydroxybenzoyl chloride
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
- 83231-21-4
4-Hydroxy-benzoic acid 2-hydroxy-3-isopropylamino-propyl ester
| Conditions | Yield |
|---|---|
| With pyridine In toluene for 2h; Ambient temperature; | 62% |
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
- 55982-34-8
1-benzothiazol-6-yloxy-3-isopropylamino-propan-2-ol
| Conditions | Yield |
|---|---|
| With p-toluenesulfonic acid monohydrate In piperidine; toluene | 57% |
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
- 90531-75-2
4-hydroxymethylbenzoyl chloride
- 83231-35-0
4-Hydroxymethyl-benzoic acid 2-hydroxy-3-isopropylamino-propyl ester
| Conditions | Yield |
|---|---|
| With pyridine In toluene for 2h; Ambient temperature; | 6% |
- 25054-53-9
3,4-(methylenedioxy)benzoyl chloride
- 6452-57-9
1,2-dihydroxy-3-isopropylaminopropane
- 90531-36-5
3-(isopropylamino)-2-hydroxypropyl 3,4-(methylenedioxy)benzoate
| Conditions | Yield |
|---|---|
| With pyridine In toluene for 2h; Ambient temperature; |
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Specification
The 1,2-Propanediol,3-[(1-methylethyl)amino]-, with the CAS registry number 6452-57-9, is also known as 3-(Isopropylamino)-1,2-propanediol. Its EINECS number is 229-255-8. This chemical's molecular formula is C6H15NO2 and molecular weight is 133.19. What's more, its systematic name is 3-(Propan-2-ylamino)propane-1,2-diol.
Physical properties of 1,2-Propanediol,3-[(1-methylethyl)amino]- are: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.75; (4)ACD/LogD (pH 7.4): -2.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 36.42 cm3; (15)Molar Volume: 132.1 cm3; (16)Polarizability: 14.44×10-24cm3; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.007 g/cm3; (19)Flash Point: 118.4 °C; (20)Enthalpy of Vaporization: 57.13 kJ/mol; (21)Boiling Point: 254.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)NCC(CO)O
(2)InChI: InChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3
(3)InChIKey: YKBZGEJJKPNRSI-UHFFFAOYSA-N