CAS
93982-35-5 Purity
96%
93982-35-5 Purity
96%
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trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride
CAS
939823-97-9
Catalog Number
ACM939823979
Category
Other Products
Molecular Weight
312.834900 [g/mol]
Molecular Formula
C16H25ClN2O2
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Specification
Synonyms
KB-144495, trans-tert-butyl-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride, 939823-97-9
IUPAC Name
tert-butyl (3S,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate;hydrochloride
InChI Key
IGPOHQWBEVOXSZ-LMRHVHIWSA-N
Exact Mass
312.16000
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The molecular formula is C16H25ClN2O2.
What is the molecular weight of trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The molecular weight is 312.83 g/mol.
What are the synonyms for trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The synonym is tert-butyl (3S,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate;hydrochloride.
What is the IUPAC name for trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The IUPAC name is tert-butyl (3S,4S)-3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate;hydrochloride.
What is the InChIKey of trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The InChIKey is IGPOHQWBEVOXSZ-LMRHVHIWSA-N.
How many hydrogen bond donor counts are there in trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
There are 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The hydrogen bond acceptor count is 3.
What is the topological polar surface area of trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
The topological polar surface area is 55.6 Ų.
How many defined atom stereocenter counts are there in trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride?
There are 2 defined atom stereocenter counts.
Is trans-tert-Butyl 3-(aminomethyl)-4-phenylpyrrolidine-1-carboxylate hydrochloride the canonicalized compound?
Yes, the compound is canonicalized.
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