3,3-dimethoxy-2-oxa-7,10-diaza-3-siladodecan-12-amine

• ChemBase ID: 146343
• Molecular Formular: C10H27N3O3Si
• Molecular Mass: 265.42518
• Monoisotopic Mass: 265.18216827
• SMILES: CO[Si](CCCNCCNCCN)(OC)OC
• Canonical SMILES: NCCNCCNCCC[Si](OC)(OC)OC
• InChI: InChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10-4-6-12-8-9-13-7-5-11/h12-13H,4-11H2,1-3H3
• InChIKey: NHBRUUFBSBSTHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethoxy-2-oxa-7,10-diaza-3-siladodecan-12-amine
• IUPAC Traditional name: 3,3-dimethoxy-2-oxa-7,10-diaza-3-siladodecan-12-amine
• Synonyms: 2-[2-(3-Trimethoxysilylpropylamino)ethylamino]ethylamine; 3-[2-(2-Aminoethylamino)ethylamino]propyltrimethoxysilane; N1-(3-Trimethoxysilylpropyl)diethylenetriamine; 3-[2-(2-氨基乙基氨基)乙基氨基]丙基三甲氧基硅烷; N-(2-氨基乙基)-N'-[3-(三甲氧硅基)丙基]-1,2-乙二胺; 二乙烯三胺基丙基三甲氧基硅烷

Database IDs

• CAS Number: 35141-30-1
• EC Number: 252-390-9
• MDL Number: MFCD00069173
• Beilstein Number: 8421470
• PubChem SID: 162240541; 24865858; 24845953
• PubChem CID: 118771

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -7.6399293
• LogD (pH = 7.4): -4.818072
• Log P: -0.9017
• Molar Refractivity: 64.8538 cm^3
• Polarizability: 28.753801 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114-118 °C/2 mmHg(lit.)
• Flash Point: 125 °C; 257 °F
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.459; n20/D 1.459(lit.)
• Vapor Pressure: 1 mmHg ( 20 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314-H317
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2735 8/PG 3

Product Information

• Grade: technical; technical grade
• Linear Formula: (CH3O)3Si(CH2)3NHCH2CH2NHCH2CH2NH2

DETAILS

Sigma Aldrich - 413348

Packaging
100, 500 mL in glass bottle