CAS
94-65-5 Purity
96%
94-65-5 Purity
96%
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tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
CAS
946593-11-9
Catalog Number
ACM946593119
Category
Other Products
Molecular Weight
295.808
Molecular Formula
C16H22ClNO2
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Specification
Synonyms
1-N-BOC-4-(4-CHLOROPHENYL)PIPERIDINE
IUPAC Name
tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate
InChI Key
ODNDRHCDSBWGGD-UHFFFAOYSA-N
Boiling Point
384.8ºC at 760 mmHg
Flash Point
186.5ºC
Density
1.134g/cm³
Exact Mass
295.13400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The molecular formula is C16H22ClNO2.
What is the molecular weight of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The molecular weight is 295.80 g/mol.
What is the IUPAC name of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The IUPAC name is tert-butyl 4-(4-chlorophenyl)piperidine-1-carboxylate.
What is the InChI of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The InChI is InChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11H2,1-3H3.
What is the InChIKey of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The InChIKey is ODNDRHCDSBWGGD-UHFFFAOYSA-N.
What is the canonical SMILES of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The canonical SMILES is CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl.
What is the CAS number of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The CAS number is 946593-11-9.
What is the formal charge of tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate?
The formal charge is 0.
How many hydrogen bond acceptor counts does tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate have?
It has 2 hydrogen bond acceptor counts.
Is tert-Butyl 4-(4-chlorophenyl)piperidine-1-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound.
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