CAS
946714-65-4 Purity
96%
946714-65-4 Purity
96%
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3-[4-(tert-Butyl)phenoxy]pyrrolidine
CAS
946715-50-0
Catalog Number
ACM946715500
Category
Other Products
Molecular Weight
219.32264
Molecular Formula
C14H21NO
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Specification
Synonyms
3-[4-(TERT-BUTYL)PHENOXY]PYRROLIDINE;3-[4-T-BUTYL-PHENOXY]-PYRROLIDINE
What is the molecular formula of the compound with PubChem CID 45075520?
The molecular formula is C14H21NO.
What is the molecular weight of the compound?
The molecular weight is 219.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(4-tert-butylphenoxy)pyrrolidine.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES is CC(C)(C)C1=CC=C(C=C1)OC2CCNC2.
What is the InChI representation of the compound?
The InChI representation is InChI=1S/C14H21NO/c1-14(2,3)11-4-6-12(7-5-11)16-13-8-9-15-10-13/h4-7,13,15H,8-10H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is QPBPBBLEQWUGSS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
946716-25-2 Purity
96%
946716-25-2 Purity
96%
