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Home> Hot Product Listed C   > CHEMBRDG-BB 5548452
4105-38-8 structure

CHEMBRDG-BB 5548452

Iupac Name:[(3R,4R,5R)-3,4-diacetyloxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CAS No.:4105-38-8
Molecular Weight:370.314
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/C15H18N2O9/c1-7(18)23-6-10-12(24-8(2)19)13(25-9(3)20)14(26-10)17-5-4-11(21)16-15(17)22/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,22)/t10?,12-,13-,14-/m1/s1
InChkey
AUFUWRKPQLGTGF-FYFXECOGSA-N
Canonical Smiles
CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
Isomers Smiles
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C
Properties
Melting Point
124-134ºC
Refractive Index
1.552
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 4105-38-8 EC: CHEMBRDG-BB 5548452 ·ECHA C&L Inventory for CAS: CAS: 4105-38-8 EC: CHEMBRDG-BB 5548452
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:370.314g/mol
  • Molecular Formula:C15H25NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.5
  • Exact Mass:370.101
  • Monoisotopic Mass:370.101
  • Complexity:660
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzPAAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACBThgAYDCAPABACI ACHWWACAAAAAAgAIAAAIAECDAAIAgAAPAAAPFyISAMDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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