CAS
959238-87-0 Purity
96%
959238-87-0 Purity
96%
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2-(Isopropylamino)pyrimidine-5-carbaldehyde
CAS
959239-00-0
Catalog Number
ACM959239000
Category
Other Products
Molecular Weight
165.192440 [g/mol]
Molecular Formula
C8H11N3O
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Specification
Synonyms
Ambcb4026231, CTK5H8375, ZINC19091560, AKOS000284194, AG-H-94409, 2-(ISOPROPYLAMINO)PYRIMIDINE-5-CARBALDEHYDE, 959239-00-0
IUPAC Name
2-(propan-2-ylamino)pyrimidine-5-carbaldehyde
Canonical SMILES
CC(C)NC1=NC=C(C=N1)C=O
InChI Key
IMBOMYGUCUKZMX-UHFFFAOYSA-N
Boiling Point
305.4ºC at 760 mmHg
Flash Point
138.5ºC
Density
1.176g/cm³
Exact Mass
165.09000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound 2-(Isopropylamino)pyrimidine-5-carbaldehyde?
The molecular formula is C8H11N3O.
When was the compound created and when was it last modified?
The compound was created on May 28, 2009, and last modified on December 30, 2023.
What is the IUPAC name of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?
The IUPAC name is 2-(propan-2-ylamino)pyrimidine-5-carbaldehyde.
What is the InChI of the compound?
InChI=1S/C8H11N3O/c1-6(2)11-8-9-3-7(5-12)4-10-8/h3-6H,1-2H3,(H,9,10,11)
What is the InChIKey of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?
IMBOMYGUCUKZMX-UHFFFAOYSA-N
What is the Canonical SMILES representation of the compound?
CC(C)NC1=NC=C(C=N1)C=O
What is the CAS number of 2-(Isopropylamino)pyrimidine-5-carbaldehyde?
The CAS number is 959239-00-0.
What is the molecular weight of the compound?
The molecular weight is 165.19 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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