CAS
912763-02-1 Purity
96%
912763-02-1 Purity
96%
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4-[1,2,4]Triazol-1-ylmethyl-[1,4]diazepane-1-carboxylic acid tert-butyl ester
CAS
912763-11-2
Catalog Number
ACM912763112
Category
Other Products
Molecular Weight
281.35402
Molecular Formula
C13H23N5O2
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Specification
Synonyms
4-[1,2,4]TRIAZOL-1-YLMETHYL-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
What is the molecular formula of tert-butyl 4-[(1H-1,2,4-triazol-1-yl)methyl]-1,4-diazepane-1-carboxylate?
The molecular formula is C13H23N5O2.
What is the molecular weight of tert-butyl 4-[(1H-1,2,4-triazol-1-yl)methyl]-1,4-diazepane-1-carboxylate?
The molecular weight is 281.35 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is tert-butyl 4-(1,2,4-triazol-1-ylmethyl)-1,4-diazepane-1-carboxylate.
What is the InChI code of the compound?
The InChI code is InChI=1S/C13H23N5O2/c1-13(2,3)20-12(19)17-6-4-5-16(7-8-17)11-18-10-14-9-15-18/h9-10H,4-8,11H2,1-3H3.
How many hydrogen bond donors are present in tert-butyl 4-[(1H-1,2,4-triazol-1-yl)methyl]-1,4-diazepane-1-carboxylate?
There are no hydrogen bond donors in the compound.
How many hydrogen bond acceptors are present in the compound?
There are 5 hydrogen bond acceptors.
What is the topological polar surface area of tert-butyl 4-[(1H-1,2,4-triazol-1-yl)methyl]-1,4-diazepane-1-carboxylate?
The topological polar surface area is 63.5 Å2.
How many rotatable bonds are there in the compound?
There are 4 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the CAS number of tert-butyl 4-[(1H-1,2,4-triazol-1-yl)methyl]-1,4-diazepane-1-carboxylate?
The CAS number is 912763-11-2.
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