Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others
3-AMINO-3-(6-QUINOLYL)PROPAN-1-OL structure
3-AMINO-3-(6-QUINOLYL)PROPAN-1-OL structure

3-AMINO-3-(6-QUINOLYL)PROPAN-1-OL

Iupac Name:3-[2-[[3-(2-carboxyethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,
2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(4-
ethyl-3-methyl-5-oxo-1,
2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CAS No.: 14684-37-8
Molecular Weight:592.72566
Modify Date.: 2022-03-25 21:39
1. Names and Identifiers
1.1 Name
3-AMINO-3-(6-QUINOLYL)PROPAN-1-OL
1.2 Synonyms

3-Amino-3-(quinolin-6-yl)propan-1-ol 6-Quinolinepropanol, γ-amino-

1.3 CAS No.
14684-37-8
1.4 CID
26818
1.5 Molecular Formula
C10H12BrNO (isomer)
1.6 Inchi
InChI=1S/C33H44N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
1.7 InChkey
OBHRVMZSZIDDEK-UHFFFAOYSA-N
1.8 Canonical Smiles
CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
1.9 Isomers Smiles
CCC1=C(C(=O)NC1CC2=C(C(=C(N2)CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C
2. Properties
3.1 Density
1.083±0.06 g/cm3(Predicted)
3.1 Refractive index
1.592
3.1 Vapour pressure
2.29E-32mmHg at 25°C
3.1 Precise Quality
592.32600
3.1 PSA
171.36000
3.1 logP
4.67140
3. Computational chemical data
  • Molecular Weight: 592.72566g/mol
  • Molecular Formula: C10H12BrNO
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.7
  • Exact Mass: 592.32608514
  • Monoisotopic Mass: 592.32608514
  • Complexity: 1160
  • Rotatable Bond Count: 14
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Topological Polar Surface Area: 164
  • Heavy Atom Count: 43
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
4. Recommended Suppliers
Global2SuppliersView all >>
Urobilinogen
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire
  • Tel:+49-(6151)-93570
UROBILINOGEN
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire