CAS
94086-51-8 Purity
96%
94086-51-8 Purity
96%
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(S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate
CAS
940865-64-5
Catalog Number
ACM940865645
Category
Other Products
Molecular Weight
321.8019;g/mol
Molecular Formula
C16H20ClN3O2
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Specification
IUPAC Name
tert-butyl(3S)-3-(3-chloro-4-cyanoanilino)pyrrolidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(C1)NC2=CC(=C(C=C2)C#N)Cl
InChI Key
TUNHKRNWXDYCHQ-ZDUSSCGKSA-N
What is the molecular formula of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The molecular formula is C16H20ClN3O2.
When was (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate created and last modified?
It was created on September 25, 2009, and last modified on December 30, 2023.
What is the molecular weight of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The molecular weight is 321.80 g/mol.
What is the InChIKey of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The InChIKey is TUNHKRNWXDYCHQ-ZDUSSCGKSA-N.
How many hydrogen bond donor counts does (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate have?
It has one hydrogen bond donor count.
What is the XLogP3-AA value of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The XLogP3-AA value is 3.3.
What is the topological polar surface area of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The topological polar surface area is 65.4 Å2.
How many rotatable bond counts does (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate have?
It has four rotatable bond counts.
Is (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the exact mass and monoisotopic mass of (S)-tert-Butyl 3-(3-chloro-4-cyanophenylamino)pyrrolidine-1-carboxylate?
The exact mass and monoisotopic mass are both 321.1244046 g/mol.
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