CAS
934175-49-2 Purity
96%
934175-49-2 Purity
96%
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7-(Phenylmethyl)-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CAS
934182-73-7
Catalog Number
ACM934182737
Category
Other Products
Molecular Weight
233.306160 [g/mol]
Molecular Formula
C14H19NO2
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Specification
Synonyms
7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol, 934182-73-7, SCHEMBL288640, FCQHVMVLHYLCFT-UHFFFAOYSA-N, MolPort-023-198-450, AKOS023787942, AK160966, ST24045583, n-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol, 3-Oxa-7-azabicyclo[3.3.1]nonan-9-ol, 7-(phenylmethyl)-
IUPAC Name
7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
Canonical SMILES
C1C2COCC(C2O)CN1CC3=CC=CC=C3
InChI Key
FCQHVMVLHYLCFT-UHFFFAOYSA-N
Boiling Point
395.4±42.0 °C (760 mmHg)
Density
1.177±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
233.14200
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C14H19NO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 233.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 7-benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H19NO2/c16-14-12-7-15(8-13(14)10-17-9-12)6-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2.
What is the InChIKey of the compound?
The InChIKey of the compound is FCQHVMVLHYLCFT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1C2COCC(C2O)CN1CC3=CC=CC=C3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.1.
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 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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