CAS
936923-58-9 Purity
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936923-58-9 Purity
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(1-Benzyl-1H-pyrazol-4-yl)methylamine
CAS
936940-11-3
Catalog Number
ACM936940113
Category
Other Products
Molecular Weight
187.24
Molecular Formula
C11H13N3
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Specification
Synonyms
(1-Benzyl-1H-pyrazol-4-yl)methylamine;1-(Phenylmethyl)-1H-pyrazole-4-methanamine
IUPAC Name
(1-benzylpyrazol-4-yl)methanamine
InChI Key
MSUNGGQPLNEWHJ-UHFFFAOYSA-N
Boiling Point
361.4ºC at 760 mmHg
Flash Point
172.4ºC
Density
1.13g/cm³
Exact Mass
187.11100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the chemical compound with PubChem CID 24704245?
The molecular formula is C11H13N3.
What is the molecular weight of the compound?
The molecular weight is 187.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (1-benzylpyrazol-4-yl)methanamine.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is C1=CC=C(C=C1)CN2C=C(C=N2)CN.
How many hydrogen bond donor counts are there in the compound?
There is one hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 187.110947427 g/mol.
How many rotatable bond counts are there in the compound?
There are 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of the compound?
The complexity of the compound is 166.
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