CAS
91305-30-5 Purity
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91305-30-5 Purity
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2-Quinazolinamine,N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS
913067-91-1
Catalog Number
ACM913067911
Category
Other Products
Molecular Weight
285.1492
Molecular Formula
C15H20BN3O2
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Specification
Synonyms
N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
IUPAC Name
N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)NC
InChI Key
DIHAVMAMDKOAGT-UHFFFAOYSA-N
Boiling Point
450.1ºC at 760 mmHg
Flash Point
226ºC
Density
1.14g/cm³
Exact Mass
285.16500
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C15H20BN3O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 285.15 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H20BN3O2/c1-14(2)15(3,4)21-16(20-14)11-6-7-12-10(8-11)9-18-13(17-5)19-12/h6-9H,1-5H3,(H,17,18,19).
What is the InChIKey of the compound?
The InChIKey of the compound is DIHAVMAMDKOAGT-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC3=CN=C(N=C3C=C2)NC.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 56.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of the compound?
The complexity of the compound is 375.
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