CAS
948916-18-5 Purity
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948916-18-5 Purity
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3-[(2-Chlorophenyl)amino]propanenitrile
CAS
94-89-3
Catalog Number
ACM94893
Category
Other Products
Molecular Weight
180.64
Molecular Formula
C9H9ClN2
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Specification
Synonyms
3-[(2-CHLOROPHENYL)AMINO] PROPANENITRILE;B-(O-CHLOROANILINO)PROPIONITRILE;3-(o-chloroanilino)propiononitrile;N-Cyanoethyl-2-chloroaniline;N-(2-CYANOETHYL)-O-CHLOROANILINE;2-Chloro-N-(2-cyanoethyl)-aniline;3-(2-Chloroanilino)propanenitrile;3-(o-Chlorophen
Density
1.226 g/cm³
What is the molecular formula of the compound with PubChem CID 66758?
The molecular formula is C9H9ClN2.
When was this compound created on PubChem?
It was created on March 27, 2005.
What is the IUPAC Name of the compound?
The IUPAC Name is 3-(2-chloroanilino)propanenitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C9H9ClN2/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,7H2.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC=C(C(=C1)NCCC#N)Cl.
What is the molecular weight of the compound?
The molecular weight is 180.63 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 35.8 Å2.
How many rotatable bond counts does the compound have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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