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Home> Hot Product Listed C   > CHEMBRDG-BB 5548452
132388-59-1 structure

CHEMBRDG-BB 5548452

Iupac Name:(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(tritylamino)butanoic acid
CAS No.:132388-59-1
Molecular Weight:596.683
Molecular Formula:C15H25NO3 (isomer)
Names and Identifiers
Synonyms

[(9-ethyl-9h-carbazol-3-yl)methyl](1-methoxypropan-2-yl)amine acm418779314 AK-97820 AKOS005420874 BIM-0023981.P001 CBMICRO_023906 CCG-11018 CDS1_004322 chembrdg-bb5548452 DIVK1C_005362 DTXSID40386052 MCULE-3966836707 MIXCOM6_000930 MOLPORT-002-980-029 n-((9-ethyl-9h-carbazol-3-yl)methyl)-1-methoxypropan-2-amine n-[(9-ethyl-9h-carbazol-3-yl)methyl]-1-methoxypropan-2-amine OPREA1_877213 PL056446 STK232820 W-8296 zx-cm012230

Inchi
InChI=1S/C38H32N2O5/c41-35(40-38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28)24-34(36(42)43)39-37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33/h1-23,33-34H,24-25H2,(H,39,44)(H,40,41)(H,42,43)/t34-/m0/s1
InChkey
KJYAFJQCGPUXJY-UMSFTDKQSA-N
Canonical Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
Isomers Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)C[C@@H](C(=O)[O-])NC(=O)
OCC4C5=CC=CC=C5C6=CC=CC=C46
Properties
Melting Point
205℃
Vapour
2.26E-31mmHg at 25°C
Refractive Index
-19 ° (C=1, DMF)
Alpha
-16 o (C=1, MEOH)
HS Code
2924 29 70
Safety and Handling
Risk Statements
53
Safety Statements
S24/25
HazardClass
IRRITANT
Transport
UN 3077 9 / PGIII
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 132388-59-1 EC: CHEMBRDG-BB 5548452 ·ECHA C&L Inventory for CAS: CAS: 132388-59-1 EC: CHEMBRDG-BB 5548452
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:596.683g/mol
  • Molecular Formula:C15H25NO3
  • Compound Is Canonicalized:True
  • Exact Mass:596.231
  • Monoisotopic Mass:596.231
  • Complexity:931
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:105A^2
  • Heavy Atom Count:45
  • 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: AAADcfB/OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMGDAAAAAGABVAAAHgAQCAAADajhmAYwCILABgCI AiHSGACCAAAgAAAIiIGIBIkKIDqA0TGMYAhk1gGYiAe3wPAOgAAAAAAQAAAAAAAAACAAAQAACAAA AA==
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Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
 
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