Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-(CAS No. 5531-95-3) CAS NO.5531-95-3

Min.Order Quantity:: 1 Gram

Purity:: 99%

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Product Details

Keywords

Dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-
5531-95-3
98%

Quick Details

ProName: Dibenzo[a,e]cyclooctene-5,11-imine,5,6...
CasNo: 5531-95-3
Molecular Formula: C21H25 N O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【name】
dibenzo[a,e]cyclooctene-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl-
【cas registry number】
5531-95-3
【synonyms】
cycloocta[1,2,5,6]dibenzen-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl- (5ci)
dibenzo[a,e]cycloocten-5,11-imine,5,6,11,12-tetrahydro-2,3,8,9-tetramethoxy-13-methyl- (9ci)
(à)-argemonine
(à)-n-methylpavine
nsc 148821
【molecular formula】
c21h25 n o4 (products with the same molecular formula)
【molecular weight】
355.4275
【inchi】
inchi=1s/c21h25no4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17h,6-7h2,1-5h3
【canonical smiles】
cn1c2cc3=cc(=c(c=c3c1cc4=cc(=c(c=c24)oc)oc)oc)oc
chemical and physical properties
【computed properties】
molecular weight:355.4275 [g/mol]
molecular formula:c21h25no4
xlogp3-aa:3.3
h-bond donor:0
h-bond acceptor:5
rotatable bond count:4
exact mass:355.178358
monoisotopic mass:355.178358
topological polar surface area:40.2
heavy atom count:26
formal charge:0
complexity:447
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:2
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:4
feature 3d cation count:1
feature 3d ring count:4
effective rotor count:4.6
conformer sampling rmsd:0.8
cid conformer count:6