CAS
115254-29-0 Purity
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115254-29-0 Purity
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Phenanthrene,1,2,3,4,4a,9,10,10a-octahydro-1-(isothiocyanatomethyl)-1,4a-dimethyl-7-(1-methylethyl)-,(1r,4as,10ar)-
CAS
115269-93-7
Catalog Number
ACM115269937
Category
Other Products
Molecular Weight
327.52666
Molecular Formula
C21H29NS
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Specification
Synonyms
MolPort-016-578-649, 115269-93-7, (1S,4aS,10aR)-7-isopropyl-1-(isothiocyanatomethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
IUPAC Name
(1S,4aS,10aR)-1-(isothiocyanatomethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Canonical SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN=C=S)C
InChI Key
AKTYQDWLPBOJTD-PWRODBHTSA-N
Boiling Point
439.8ºC at 760mmHg
Flash Point
237.4ºC
Density
1.07g/cm³
Exact Mass
327.20200
H-Bond Acceptor
2
H-Bond Donor
0
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