CAS
94-67-7 Purity
98%
94-67-7 Purity
98%
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2-(Benzylamino)pyrimidine-5-carbaldehyde
CAS
946778-44-5
Catalog Number
ACM946778445
Category
Other Products
Molecular Weight
213.235240 [g/mol]
Molecular Formula
C12H11N3O
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Specification
Synonyms
2-(BENZYLAMINO)PYRIMIDINE-5-CARBALDEHYDE, 946778-44-5, Ambcb4026234, AGN-PC-01KW0S, CTK5H6981, MolPort-006-189-742, ZINC15418247, AKOS000283926, AG-H-90751, 2-(benzylamino)-5-pyrimidinecarbaldehyde, AK118553, KB-223706, Y-5802
IUPAC Name
2-(benzylamino)pyrimidine-5-carbaldehyde
Canonical SMILES
C1=CC=C(C=C1)CNC2=NC=C(C=N2)C=O
InChI Key
LYCVAJMGIHAWPH-UHFFFAOYSA-N
Boiling Point
431.1ºC at 760 mmHg
Flash Point
214.5ºC
Density
1.271g/cm³
Exact Mass
213.09000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The molecular formula is C12H11N3O.
What is the molecular weight of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The molecular weight is 213.23 g/mol.
What is the IUPAC name of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The IUPAC name is 2-(benzylamino)pyrimidine-5-carbaldehyde.
What is the InChI of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The InChI is InChI=1S/C12H11N3O/c16-9-11-7-14-12(15-8-11)13-6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,13,14,15).
What is the InChIKey of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The InChIKey is LYCVAJMGIHAWPH-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The Canonical SMILES is C1=CC=C(C=C1)CNC2=NC=C(C=N2)C=O.
How many hydrogen bond donor counts does 2-(Benzylamino)pyrimidine-5-carbaldehyde have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 2-(Benzylamino)pyrimidine-5-carbaldehyde have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(Benzylamino)pyrimidine-5-carbaldehyde?
The topological polar surface area is 54.9 Ų.
Is 2-(Benzylamino)pyrimidine-5-carbaldehyde a canonicalized compound?
Yes, it is a canonicalized compound.
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