CAS
91419-49-7 Purity
97%
91419-49-7 Purity
97%
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4-(5-Tetrazolyl)piperidine hydrochloride
CAS
91419-60-2
Catalog Number
ACM91419602
Category
Other Products
Molecular Weight
189.645980 [g/mol]
Molecular Formula
C6H12ClN5
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Specification
Synonyms
4-(5-Tetrazolyl)piperidine HCl, 91419-60-2, SureCN4689067, ACT10574, 4-(1H-tetrazol-5-yl)piperidine hydrochloride
IUPAC Name
4-(2H-tetrazol-5-yl)piperidine;hydrochloride
Canonical SMILES
C1CNCCC1C2=NNN=N2.Cl
InChI Key
AHNPNCMKSKGGJK-UHFFFAOYSA-N
Exact Mass
189.07800
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound?
The molecular formula of the compound is C6H12ClN5.
What is the molecular weight of the compound?
The molecular weight of the compound is 189.65 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(2H-tetrazol-5-yl)piperidine;hydrochloride.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H11N5.ClH/c1-3-7-4-2-5(1)6-8-10-11-9-6;/h5,7H,1-4H2,(H,8,9,10,11);1H.
What is the InChIKey of the compound?
The InChIKey of the compound is AHNPNCMKSKGGJK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CNCCC1C2=NNN=N2.Cl.
What is the CAS number of the compound?
The CAS number of the compound is 91419-60-2.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 66.5?2.
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