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Acetamide,N-butyl-2-chloro-N-[1-(1,4-dihydro-4-oxo-2-quinazolinyl)ethyl]- structure
Acetamide,N-butyl-2-chloro-N-[1-(1,4-dihydro-4-oxo-2-quinazolinyl)ethyl]- structure

Acetamide,N-butyl-2-chloro-N-[1-(1,4-dihydro-4-oxo-2-quinazolinyl)ethyl]-

Iupac Name:3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CAS No.:82985-35-1
Molecular Weight:341.551
1. Names and Identifiers
1.1 Name
Acetamide,N-butyl-2-chloro-N-[1-(1,4-dihydro-4-oxo-2-quinazolinyl)ethyl]-
1.2 CAS No.
82985-35-1
1.3 CID
157882
1.4 Molecular Formula
C18H15ClFN3O2 (isomer)
1.5 Inchi
InChI=1S/C12H31NO6Si2/c1-14-20(15-2,16-3)11-7-9-13-10-8-12-21(17-4,18-5)19-6/h13H,7-12H2,1-6H3
1.6 InChkey
TZZGHGKTHXIOMN-UHFFFAOYSA-N
1.7 Canonical Smiles
CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC
1.8 Isomers Smiles
CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC
2. Properties
3.1 Melting Point
<0 °C
3.2 Boiling Point
546°C at 760 mmHg
3.3 Refractive Index
1.432
3.4 Flash Point
126°C
3. Safety and Handling
4.1 Risk Statements
R20/22;R36/37/38
4.2 Safety Statements
26-36/37/39
4.3 HazardClass
9
4.3 PackingGroup
III
4.4 Transport
UN 3082
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:341.551g/mol
  • Molecular Formula:C18H15ClFN3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:341.16899078
  • Monoisotopic Mass:341.16899078
  • Complexity:211
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:67.4
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Bis[3-(trimethoxysilyl)propyl]amine (BTMSPA) is a bis-amino silane which can be used as a water based coupling agent that promotes the adhesion between different materials to form a hybrid material. The amino groups in the polymer provide coating strength to the modified metal surfaces and the sila...
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