CAS
94713-26-5 Purity
96%
94713-26-5 Purity
96%
![1,3,4,14b-Tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine monohydrochloride](https://resource.alfa-chemistry.com/structure/94713-27-6.gif)
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4-Pyridinamine,2-chloro-5,6-dimethyl-3-Nitro-n-(phenylmethyl)-
CAS
947146-42-1
Catalog Number
ACM947146421
Category
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What is the molecular formula of the compound with PubChem CID 76851416?
The molecular formula is C14H14ClN3O2.
What is the molecular weight of the compound?
The molecular weight is 291.73 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-benzyl-2-chloro-5,6-dimethyl-3-nitropyridin-4-amine.
What is the InChI of the compound?
The InChI is InChI=1S/C14H14ClN3O2/c1-9-10(2)17-14(15)13(18(19)20)12(9)16-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17).
What is the InChIKey of the compound?
The InChIKey is SXZBSJSVKKEIBX-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=C(N=C(C(=C1NCC2=CC=CC=C2)[N+](=O)[O-])Cl)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.4.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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