CAS
910908-09-7 Purity
96%
910908-09-7 Purity
96%
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1H-Pyrazole-4-carbonitrile,5-amino-1-(phenylmethyl)-
CAS
91091-13-3
Catalog Number
ACM91091133
Category
Other Products
Molecular Weight
198.22
Molecular Formula
C11H10N4
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Specification
Synonyms
5-AMINO-1- BENZYL-1H-PYRAZOLE-4-CARBONITRILE
IUPAC Name
5-amino-1-benzylpyrazole-4-carbonitrile
Canonical SMILES
C1=CC=C(C=C1)CN2C(=C(C=N2)C#N)N
InChI Key
GAVXFBPVQOBHDS-UHFFFAOYSA-N
Boiling Point
444.421ºC at 760 mmHg
Flash Point
222.578ºC
Density
1.226g/cm³
Exact Mass
198.09100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C11H10N4.
What is the molecular weight of the compound?
The molecular weight of the compound is 198.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-amino-1-benzylpyrazole-4-carbonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H10N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h1-5,7H,8,13H2.
What is the InChIKey of the compound?
The InChIKey of the compound is GAVXFBPVQOBHDS-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)CN2C(=C(C=N2)C#N)N.
What is the CAS number of the compound?
The CAS number of the compound is 91091-13-3.
What is the EC number of the compound?
The EC number of the compound is 849-797-4.
What is the ChEMBL ID of the compound?
The ChEMBL ID of the compound is CHEMBL1406925.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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CAS
910918-71-7 Purity
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910918-71-7 Purity
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