CAS
94367-35-8 Purity
96%
94367-35-8 Purity
96%
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Carbamic acid,N-[(5-bromo-3-pyridinyl)methyl]-,1,1-dimethylethyl ester
CAS
943722-24-5
Catalog Number
ACM943722245
Category
Other Products
Molecular Weight
287.15
Molecular Formula
C11H15BrN2O2
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Specification
Synonyms
3-(N-Boc-aminomethyl)-5-bromopyridine;5-Bromo-3-N-tert-butyl carbamatomethylpyridine;3-(BOC-Aminomethyl)-5-bromopyridine
IUPAC Name
tert-butyl N-[(5-bromopyridin-3-yl)methyl]carbamate
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CN=C1)Br
InChI Key
VZPOHASZICQBDX-UHFFFAOYSA-N
Exact Mass
286.03200
H-Bond Acceptor
3
H-Bond Donor
1
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl N-[(5-bromopyridin-3-yl)methyl]carbamate.
What is the molecular formula of the compound?
The molecular formula of the compound is C11H15BrN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 287.15 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-6-8-4-9(12)7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is VZPOHASZICQBDX-UHFFFAOYSA-N.
What is the CAS number of the compound?
The CAS number of the compound is 943722-24-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has three hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has four rotatable bond counts.
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