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Basic Information
CAS No.: 58160-99-9
Name: 3-Aminopropylsilanetriol
Molecular Structure:
Molecular Structure of 58160-99-9 (3-Aminopropylsilanetriol)
Formula: C3H11NO3Si
Molecular Weight: 137.211
Synonyms: Silanetriol,(3-aminopropyl)- (9CI);(g-Aminopropyl)silanetriol;3-Aminopropyltrihydroxysilane;SIA 0608.0;g-Aminopropyltrihydroxysilane;(3-Aminopropyl)silanetriol;Silanetriol, (3-aminopropyl)-;silanetriol, 1-(3-aminopropyl)-;
EINECS: 261-145-5
Density: 1.248 g/cm3
Boiling Point: 297.659 °C at 760 mmHg
Flash Point: 133.82 °C
PSA: 86.71000
LogP: -1.04870
Synthetic route
919-30-2

3-aminopropyltriethoxysilane

A

58160-99-9

1-(3-aminopropyl)silantriol

B

monocrosslinked oligomerdicrosslinked oligomer

monocrosslinked oligomerdicrosslinked oligomer

Conditions
ConditionsYield
In water for 7h; pH=11;
919-30-2

3-aminopropyltriethoxysilane

58160-99-9

1-(3-aminopropyl)silantriol

Conditions
ConditionsYield
With water
With hydrogenchloride In water at 20℃; for 15h;
With hydrogenchloride In water at 45℃;
With water
919-30-2

3-aminopropyltriethoxysilane

A

64-17-5

ethanol

B

58160-99-9

1-(3-aminopropyl)silantriol

Conditions
ConditionsYield
With trifluoroacetic acid In water
58160-99-9

1-(3-aminopropyl)silantriol

polymer; monomer(s): aminopropylsilanetriol

polymer; monomer(s): aminopropylsilanetriol

Conditions
ConditionsYield
at 20℃; for 504000h;
58160-99-9

1-(3-aminopropyl)silantriol

aminopropylsiloxane polymer

aminopropylsiloxane polymer

Conditions
ConditionsYield
With PVC In water at 20℃;
4534-68-3

1,2,3,4-butanetetracarboxylic acid

58160-99-9

1-(3-aminopropyl)silantriol

C11H19NO10Si

Conditions
ConditionsYield
In water for 0.5h;
1120-71-4

1,3-propanesultone

58160-99-9

1-(3-aminopropyl)silantriol

N-trihydroxysilylpropylamino propyl sulfonic acid lithium salt

Conditions
ConditionsYield
Stage #1: 1,3-propanesultone; 1-(3-aminopropyl)silantriol In water at 20℃; for 12.5h;
Stage #2: With lithium hydroxide monohydrate; water at 50℃; for 4h;
67-56-1

methanol

10049-21-5

sodium dihydrogenphosphate

molybdenum (III) chloride

58160-99-9

1-(3-aminopropyl)silantriol

3C6H17NO6PSi(1-)*Mo(3+)

Conditions
ConditionsYield
Stage #1: sodium dihydrogenphosphate With di(n-butyl)tin oxide In cyclohexanone; isopropyl alcohol at 130℃; for 2.5h;
Stage #2: 1-(3-aminopropyl)silantriol With di(n-butyl)tin oxide In cyclohexanone; isopropyl alcohol at 170℃; for 6h;
Stage #3: methanol; molybdenum (III) chloride Further stages;
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Specification

The Silanetriol,1-(3-aminopropyl)-, with the CAS registry number 58160-99-9 and EINECS registry number 261-145-5, has the systematic name of (3-aminopropyl)silanetriol. It belongs to the product category of Amino. And the molecular formula of the chemical is C3H11NO3Si.

The characteristics of Silanetriol,1-(3-aminopropyl)- are as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.67; (4)ACD/LogD (pH 7.4): -2.36; (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: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 32.8 cm3; (15)Molar Volume: 109.9 cm3; (16)Polarizability: 13×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 62.36 kJ/mol; (21)Boiling Point: 297.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000135 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[Si](O)(O)CCCN
(2)InChI: InChI=1/C3H11NO3Si/c4-2-1-3-8(5,6)7/h5-7H,1-4H2
(3)InChIKey: JTXUAHIMULPXKY-UHFFFAOYAK