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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazolecarboxaldehyde,4-methyl-2-(4-morpholinyl)-
58175-87-4 structure

5-Thiazolecarboxaldehyde,4-methyl-2-(4-morpholinyl)-

Iupac Name:(4R)-4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CAS No.:58175-87-4
Molecular Weight:319.877
Molecular Formula:C18H18N2S (isomer)
Names and Identifiers
Synonyms

4-methyl-2-(4-morpholinyl)-5-thiazolecarboxaldehyde 4-methyl-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde 4-methyl-2-morpholin-4-yl-thiazole-5-carbaldehyde 4-methyl-2-morpholin-4-ylthiazole-5-carbaldehyde 4-methyl-2-morpholinothiazole-5-carbaldehyde 5-Thiazolecarboxaldehyde,4-methyl-2-morpholino- (7CI) A821914 AB00591830-02 AC1Q2GFY AK189007 AKOS000303094 BAS 10154450 BBL003982 CHEMBL1461536 CJ-10631 DTXSID10368502 EN300-06933 HMS2666K13 KM2924 M80334 mfcd04624258 MLS000718542 MOLPORT-002-017-740 smr000290810 STK522339 V8921 ZINC3284946

Inchi
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1
InChkey
WHTVZRBIWZFKQO-CQSZACIVSA-N
Canonical Smiles
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
Properties
Density
0.928
Melting Point
87 deg C
Boiling Point
498.4°Cat760mmHg
Refractive Index
1.592
Flash Point
433.4°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:319.877g/mol
  • Molecular Formula:C18H18N2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.6
  • Exact Mass:319.182
  • Monoisotopic Mass:319.182
  • Complexity:309
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • 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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