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2-[(2-methoxyethoxy)methyl]morpholine structure
2-[(2-methoxyethoxy)methyl]morpholine structure

2-[(2-methoxyethoxy)methyl]morpholine

Iupac Name:(2S)-2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CAS No.: 177469-96-4
Molecular Weight:531.68718
Modify Date.: 2022-02-11 12:44
1. Names and Identifiers
1.1 Name
2-[(2-methoxyethoxy)methyl]morpholine
1.2 CAS No.
177469-96-4
1.3 CID
5745206
1.4 Molecular Formula
C9H15ClN4O (isomer)
1.5 Inchi
InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1
1.6 InChkey
AMNXBQPRODZJQR-DITALETJSA-N
1.7 Canonical Smiles
CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)C(C5CCCC5)C(=O)NC(CO)C6=CC=CC=C6)C
1.8 Isomers Smiles
CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C
2. Properties
3.1 Refractive index
1.652
3.1 Vapour pressure
5.93E-23mmHg at 25°C
3. Computational chemical data
  • Molecular Weight: 531.68718g/mol
  • Molecular Formula: C9H15ClN4O
  • Compound Is Canonicalized: True
  • XLogP3-AA: 7.3
  • Exact Mass: 531.28857743
  • Monoisotopic Mass: 531.28857743
  • Complexity: 824
  • Rotatable Bond Count: 8
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 67.2
  • Heavy Atom Count: 40
  • 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
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