CAS
95-43-2 Purity
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95-43-2 Purity
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2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline
CAS
954328-84-8
Catalog Number
ACM954328848
Category
Other Products
Molecular Weight
189.217140 [g/mol]
Molecular Formula
C9H11N5
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Specification
Synonyms
2,3-DIMETHYL-5-(1H-TETRAZOL-1-YL)ANILINE, 954328-84-8, Ambcb9196870, CTK5H7752, MolPort-008-390-040, ZINC19092790, AKOS002344279, AG-H-92800, MCULE-6583255706
IUPAC Name
2,3-dimethyl-5-(tetrazol-1-yl)aniline
Canonical SMILES
CC1=CC(=CC(=C1C)N)N2C=NN=N2
InChI Key
SQWVCPXNTJGIFG-UHFFFAOYSA-N
Boiling Point
407ºC at 760 mmHg
Flash Point
199.9ºC
Density
1.34g/cm³
Exact Mass
189.10100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The molecular formula is C9H11N5.
When was 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline created and modified?
It was created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The IUPAC name is 2,3-dimethyl-5-(tetrazol-1-yl)aniline.
What is the InChIKey of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The InChIKey is SQWVCPXNTJGIFG-UHFFFAOYSA-N.
What is the canonical SMILES of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The canonical SMILES is CC1=CC(=CC(=C1C)N)N2C=NN=N2.
What is the molecular weight of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The molecular weight is 189.22 g/mol.
How many hydrogen bond donor counts are there in 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The topological polar surface area is 69.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of 2,3-Dimethyl-5-(1H-tetrazol-1-yl)aniline?
The XLogP3-AA value is 1.3.
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