CAS
96732-05-7 Purity
96%
96732-05-7 Purity
96%
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5-Nitro-n-acetyltryptamine
CAS
96735-08-9
Catalog Number
ACM96735089
Category
Other Products
Molecular Weight
247.25
Molecular Formula
C12H13N3O3
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Specification
Synonyms
5-NITRO-N-ACETYLTRYPTAMINE
IUPAC Name
N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide
Canonical SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-]
InChI Key
PKDUVHDAPLRJMS-UHFFFAOYSA-N
Appearance
Yellow Solid
Exact Mass
247.09600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 5-Nitro-n-acetyltryptamine?
The molecular formula is C12H13N3O3.
What is the molecular weight of 5-Nitro-n-acetyltryptamine?
The molecular weight is 247.25 g/mol.
What is the IUPAC name of 5-Nitro-n-acetyltryptamine?
The IUPAC name is N-[2-(5-nitro-1H-indol-3-yl)ethyl]acetamide.
What is the InChIKey of 5-Nitro-n-acetyltryptamine?
The InChIKey is PKDUVHDAPLRJMS-UHFFFAOYSA-N.
What is the Canonical SMILES of 5-Nitro-n-acetyltryptamine?
The Canonical SMILES is CC(=O)NCCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-].
What is the CAS number of 5-Nitro-n-acetyltryptamine?
The CAS number is 96735-08-9.
How many hydrogen bond donor counts does 5-Nitro-n-acetyltryptamine have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 5-Nitro-n-acetyltryptamine?
The topological polar surface area is 90.7 Ų.
How many rotatable bond counts does 5-Nitro-n-acetyltryptamine have?
It has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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