CAS
933673-51-9 Purity
96%
933673-51-9 Purity
96%
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N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CAS
933683-06-8
Catalog Number
ACM933683068
Category
Other Products
Molecular Weight
127.15
Molecular Formula
C5H9N3O
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Specification
Synonyms
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine, 933683-06-8, CTK5H2366, MolPort-005-210-495, ALBB-005673, SBB047879, STK503538, AKOS005171500, AG-H-81501, KB-258868, BB 0238849, methyl[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine, Methyl-(3-methyl-[1,2,4]oxadiazol-5-ylmethyl)- amine, N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine, N-METHYL-N-[(3-METHYL-1,2,4-OXADIAZOL-5-YL)-METHYL]AMINE
IUPAC Name
N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
Canonical SMILES
CC1=NOC(=N1)CNC
InChI Key
DXORLLLAUZFWFF-UHFFFAOYSA-N
Boiling Point
207.7ºC at 760 mmHg
Flash Point
79.4ºC
Density
1.09g/cm³
Exact Mass
127.07500
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C5H9N3O.
What is the molecular weight of the compound?
The molecular weight is 127.14 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the InChI of the compound?
The InChI is InChI=1S/C5H9N3O/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is DXORLLLAUZFWFF-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=NOC(=N1)CNC.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 51.2.
Is the compound canonically bonded?
Yes, the compound is canonically bonded.
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