CAS
933683-35-3 Purity
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933683-35-3 Purity
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1,3,5,-Trimethylbenzylazide
CAS
93368-76-4
Catalog Number
ACM93368764
Category
Other Products
Molecular Weight
175.230320 [g/mol]
Molecular Formula
C10H13N3
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Specification
Synonyms
1,3,5-Trimethylbenzyl azide, MolPort-012-948-070, AKOS011839763, MCULE-8076878118, 93368-76-4
IUPAC Name
2-(azidomethyl)-1,3,5-trimethylbenzene
InChI Key
QZRDSVMEBMBTKU-UHFFFAOYSA-N
Exact Mass
175.11100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1,3,5-Trimethylbenzylazide?
The molecular formula is C10H13N3.
What is the IUPAC name of 1,3,5-Trimethylbenzylazide?
The IUPAC name is 2-(azidomethyl)-1,3,5-trimethylbenzene.
What is the molecular weight of 1,3,5-Trimethylbenzylazide?
The molecular weight is 175.23 g/mol.
How is the InChI represented for 1,3,5-Trimethylbenzylazide?
The InChI is represented as InChI=1S/C10H13N3/c1-7-4-8(2)10(6-12-13-11)9(3)5-7/h4-5H,6H2,1-3H3.
What is the InChIKey of 1,3,5-Trimethylbenzylazide?
The InChIKey is QZRDSVMEBMBTKU-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,3,5-Trimethylbenzylazide?
The Canonical SMILES is CC1=CC(=C(C(=C1)C)CN=[N+]=[N-])C.
What is the XLogP3-AA value of 1,3,5-Trimethylbenzylazide?
The XLogP3-AA value is 3.9.
How many hydrogen bond acceptor counts does 1,3,5-Trimethylbenzylazide have?
It has 2 hydrogen bond acceptor counts.
What is the topological polar surface area of 1,3,5-Trimethylbenzylazide?
The topological polar surface area is 14.4 Ų.
Is 1,3,5-Trimethylbenzylazide a canonicalized compound?
Yes, it is a canonicalized compound.
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