CAS
9028-36-8 Purity
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9028-36-8 Purity
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1-Piperidinecarboxylicacid,3-(4-chlorophenoxy)-,1,1-dimethylethyl ester
CAS
902836-90-2
Catalog Number
ACM902836902
Category
Other Products
Molecular Weight
311.8
Molecular Formula
C16H22ClNO3
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Specification
Synonyms
3-(4-CHLORO-PHENOXY)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;TERT-BUTYL 3-(4-CHLOROPHENOXY)PIPERIDINE-1-CARBOXYLATE
IUPAC Name
tert-butyl3-(4-chlorophenoxy)piperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC=C(C=C2)Cl
InChI Key
BJQUMJXXYPZQPF-UHFFFAOYSA-N
Boiling Point
402.6ºC at 760 mmHg
Flash Point
197.3ºC
Density
1.171g/cm³
Exact Mass
311.12900
What is the molecular weight of 1-Piperidinecarboxylicacid,3-(4-chlorophenoxy)-,1,1-dimethylethyl ester?
The molecular weight is 311.80 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is tert-butyl 3-(4-chlorophenoxy)piperidine-1-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C16H22ClNO3/c1-16(2,3)21-15(19)18-10-4-5-14(11-18)20-13-8-6-12(17)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3.
What is the InChIKey of the compound?
The InChIKey is BJQUMJXXYPZQPF-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC(C)(C)OC(=O)N1CCCC(C1)OC2=CC=C(C=C2)Cl.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
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 4 rotatable bond counts.
What is the exact mass of the compound?
The exact mass is 311.1288213 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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