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N-trityl-3-hydroxytricyclo-[3.3.1.13,7]decan-1-amine

HCID 54523384
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC12CC3CC(C1)CC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)(C3)C2
InChIKey
YRKQJKDADWUKHR-UHFFFAOYSA-N
Molecular formula
C29H31NO
Average molar mass
409.6 g/mol

Names & identifiers

Preferred name
N-trityl-3-hydroxytricyclo-[3.3.1.13,7]decan-1-amine
IUPAC
3-(tritylamino)adamantan-1-ol

Names & synonyms

SCHEMBL9218336YRKQJKDADWUKHR-UHFFFAOYSA-NN-trityl-3-hydroxytricyclo-[3.3.1.13,7 ]decan-1 -amineN-trityl-3-hydroxytricyclo-[3.3.1.13,7 ]decan-1-amine

Database identifiers

PubChem CID
54523384

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
31
Formal charge
0
Complexity
565

Related reactions

6 records
New reaction record
HRID 234743 reaction equation
HRID 234743As productuspto-grants-1997_01
HRID 234744 reaction equation
HRID 234744As reactantuspto-grants-1997_01
HRID 1118134 reaction equation
HRID 1118134As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1608573 reaction equation
HRID 1608573As productuspto-grants-1995_03
HRID 1608574 reaction equation
HRID 1608574As reactantuspto-grants-1995_03
HRID 2147394 reaction equation
HRID 2147394As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes