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N-[Tris(3-acrylamidopropoxymethyl)methyl]acrylamide structure
N-[Tris(3-acrylamidopropoxymethyl)methyl]acrylamide structure

N-[Tris(3-acrylamidopropoxymethyl)methyl]acrylamide

Iupac Name:(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
CAS No.: 51-35-4
Molecular Weight:131.12986
Modify Date.: 2022-04-04 23:46
1. Names and Identifiers
1.1 Name
N-[Tris(3-acrylamidopropoxymethyl)methyl]acrylamide
1.2 Synonyms

2-Propenamide, N,N′-[[2-[(1-oxo-2-propen-1-yl)amino]-2-[[3-[(1-oxo-2-propen-1-yl)amino]propoxy]methyl]-1,3-propanediyl]bis(oxy-3,1-propanediyl)]bis- FAM 401 N,N′-[[2-[(1-Oxo-2-propen-1-yl)amino]-2-[[3-[(1-oxo-2-propen-1-yl)amino]propoxy]methyl]-1,3-propanediyl]bis(oxy-3,1-propanediyl)]bis[2-propenamide]

1.3 CAS No.
51-35-4
1.4 CID
5810
1.5 Molecular Formula
C29H46O3 (isomer)
1.6 Inchi
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
1.7 InChkey
PMMYEEVYMWASQN-DMTCNVIQSA-N
1.8 Canonical Smiles
C1C(CNC1C(=O)O)O
1.9 Isomers Smiles
C1[C@H](CN[C@@H]1C(=O)O)O
2. Properties
3.1 Melting point
274-275℃
3.1 Boiling point
754.3±60.0 °C(Predicted)
3.1 Refractive index
-75.5 ° (C=4, H2O)
3.1 Precise Quality
131.05800
3.1 PSA
69.56000
3.1 logP
-0.87740
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25
4.1 Hazard Class
IRRITANT
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
TW3586500
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 131.12986g/mol
  • Molecular Formula: C29H46O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: -3.3
  • Exact Mass: 131.058243149
  • Monoisotopic Mass: 131.058243149
  • Complexity: 125
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 69.6
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACDzhgAYACALAAgAIAACQCAAAAAAAAAAAAIGIAAACEBIAgCAEQAAGEACQAADaEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation