CAS
959239-77-1 Purity
96%
959239-77-1 Purity
96%
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2-Cyclohexyl-5-pyrimidinecarbaldehyde
CAS
959240-13-2
Catalog Number
ACM959240132
Category
Other Products
Molecular Weight
190.241660 [g/mol]
Molecular Formula
C11H14N2O
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Specification
Synonyms
2-CYCLOHEXYL-5-PYRIMIDINECARBALDEHYDE, 959240-13-2, Ambcb4026760, MolPort-014-746-280, KM3384, ZINC19091901, 2-Cyclohexylpyrimidine-5-carbaldehyde, AKOS012049565, AJ-71713, AK118629
IUPAC Name
2-cyclohexylpyrimidine-5-carbaldehyde
Canonical SMILES
C1CCC(CC1)C2=NC=C(C=N2)C=O
InChI Key
FDLLJEWSIWXXEG-UHFFFAOYSA-N
Boiling Point
321.3ºC at 760 mmHg
Flash Point
152.5ºC
Density
1.127g/cm³
Exact Mass
190.11100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The molecular formula is C11H14N2O.
When was 2-Cyclohexyl-5-pyrimidinecarbaldehyde created and modified in PubChem?
It was created on 2009-05-28 and modified on 2023-12-30.
What is the IUPAC name of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The IUPAC name is 2-cyclohexylpyrimidine-5-carbaldehyde.
What is the InChI of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The InChI is InChI=1S/C11H14N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What is the InChIKey of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The InChIKey is FDLLJEWSIWXXEG-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The Canonical SMILES is C1CCC(CC1)C2=NC=C(C=N2)C=O.
What is the molecular weight of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The molecular weight is 190.24 g/mol.
How many hydrogen bond acceptor counts does 2-Cyclohexyl-5-pyrimidinecarbaldehyde have?
2-Cyclohexyl-5-pyrimidinecarbaldehyde has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-Cyclohexyl-5-pyrimidinecarbaldehyde?
The topological polar surface area is 42.8 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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