CAS
936940-58-8 Purity
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936940-58-8 Purity
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3-Methyl-4-pyrrolidin-2-yl-1,2,5-oxadiazole
CAS
936940-68-0
Catalog Number
ACM936940680
Category
Other Products
Molecular Weight
153.181740 [g/mol]
Molecular Formula
C7H11N3O
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Specification
Synonyms
Ambcb4010289, CTK5H2833, MolPort-016-630-935, AKOS006282778, AG-H-82826, 3-METHYL-4-PYRROLIDIN-2-YL-1,2,5-OXADIAZOLE, 936940-68-0
IUPAC Name
3-methyl-4-pyrrolidin-2-yl-1,2,5-oxadiazole
Canonical SMILES
CC1=NON=C1C2CCCN2
InChI Key
DIYORNGAPDTTKE-UHFFFAOYSA-N
Boiling Point
256.7ºC at 760 mmHg
Flash Point
109.1ºC
Density
1.139g/cm³
Exact Mass
153.09000
H-Bond Acceptor
4
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-methyl-4-pyrrolidin-2-yl-1,2,5-oxadiazole.
What is the molecular formula of the compound?
The molecular formula of the compound is C7H11N3O.
What is the molecular weight of the compound?
The molecular weight of the compound is 153.18 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H11N3O/c1-5-7(10-11-9-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is DIYORNGAPDTTKE-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=NON=C1C2CCCN2.
What is the CAS number of the compound?
The CAS number of the compound is 936940-68-0.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 0.1.
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.
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