CAS
95193-41-2 Purity
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95193-41-2 Purity
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ACETAMIDE,N-(1,2,3,4-TETRAHYDRO-2-METHYLPYRAZINO[1,2-A]BENZO[D]IMIDAZOL-8-YL)-
CAS
951963-41-0
Catalog Number
ACM951963410
Category
Other Products
Molecular Weight
244.292340 [g/mol]
Molecular Formula
C13H16N4O
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Specification
Synonyms
951963-41-0, STOCK6S-54703, MolPort-004-805-931, STK644950, ZINC13732686, AKOS005575681, MCULE-9081438353, KB-294665, N-(2-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)acetamide, acetamide,N-(1,2,3,4-tetrahydro-2-methylpyrazino[1,2-a]benzimidazol-8-yl)-
IUPAC Name
N-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide
Canonical SMILES
CC(=O)NC1=CC2=C(C=C1)N3CCN(CC3=N2)C
InChI Key
PCKUKIXCWQTTSO-UHFFFAOYSA-N
Boiling Point
537.8±40.0 °C (760 mmHg)
Density
1.33±0.1 g/cm³(20 °C , 760mmHg)
Exact Mass
244.13200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of this compound?
The molecular formula of this compound is C13H16N4O.
What is the molecular weight of this compound?
The molecular weight of this compound is 244.29 g/mol.
What is the IUPAC name of this compound?
The IUPAC name of this compound is N-(2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)acetamide.
What is the InChIKey of this compound?
The InChIKey of this compound is PCKUKIXCWQTTSO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does this compound have?
This compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does this compound have?
This compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of this compound?
The topological polar surface area of this compound is 50.2 Ų.
How many rotatable bond counts does this compound have?
This compound has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
When was this compound created and last modified?
This compound was created on 2007-11-13 and last modified on 2023-12-30.
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