1-(3-Aminopropyl)silatrane
Basic information
- CAS
17869-27-1- Standard SMILES
NCCC[Si]12OCCN(CCO1)CCO2- InChIKey
BVWMLPXXYGTRHW-UHFFFAOYSA-N- Molecular formula
- C9H20N2O3Si
- Average molar mass
- 232.35 g/mol
- Monoisotopic mass
- 232.12431904
Names & identifiers
- Preferred name
- 1-(3-Aminopropyl)silatrane
- IUPAC
- 3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propan-1-amine
- English name
- 3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-yl)-1-propanamine
- Molecular formula
- C9H20N2O3Si
- Molecular weight
- 232.35
Names & synonyms
1-(3-Aminopropyl)silatrane3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propan-1-amine3-{2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl}propan-1-amine3-(2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecan-1-yl)propan-1-amineRefChem:423343834-264-017869-27-12,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3-aminopropyl)-3-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-yl)-1-propanamine2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane-1-propanamine3-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)propan-1-amineMFCD01750718
Show more names
1-(3-Aminopropyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
3-Aminopropylsilatran3-Aminopropylsilatran [Czech]2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-propanamineAminopropyl-silatrane1-(3-Aminopropyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecaneC9H20N2O3SiSCHEMBL4332377DTXSID30170523
Database identifiers
- CAS
17869-27-1- PubChem CID
- 205377
- DTXSID
DTXSID30170523- EC Number
- 834-264-0
- Nikkaji
- J15.221H
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 99.8 °C · 99.8°C (estimate)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 10.27 · 10.27±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 5800 mg/kg 28ZPAK -,220,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 orl-rat: 5800 mg/kg 28ZPAK -,220,72
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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