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Home> Hot Product Listed T   > T6530185
35661-60-0 structure

T6530185

Iupac Name:(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
CAS No.:35661-60-0
Molecular Weight:353.418
Molecular Formula:C16H16N6OS2 (isomer)
Names and Identifiers
Synonyms

4-methyl-2-(propan-2-yl)-n-[1-(pyridin-2-yl)ethyl]-1,3-thiazole-5-carboxamide MCULE-7178235099 MOLPORT-009-546-491 Z406543220

Inchi
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChkey
CBPJQFCAFFNICX-IBGZPJMESA-N
Canonical Smiles
CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
Properties
Melting Point
153-157℃
Refractive Index
-25 ° (C=1, DMF)
Alpha
-26 o (C=1,DMF 24 oC)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Transport
OTH
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 35661-60-0 EC: T6530185 ·ECHA C&L Inventory for CAS: CAS: 35661-60-0 EC: T6530185
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

Computational chemical data
  • Molecular Weight:353.418g/mol
  • Molecular Formula:C16H16N6OS2
  • Compound Is Canonicalized:True
  • Exact Mass:353.163
  • Monoisotopic Mass:353.163
  • Complexity:484
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:26
  • 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
  • CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADSjhmAYyCILABgCI AiDSGAACAAAgAAAIiIGIAIkKIDKAkTCMYAAk1gEYiAeIwPAOgAAAAAAQAAAAAAAAACAAAQAACAAA AA==
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