CAS
908103-37-7 Purity
96%
908103-37-7 Purity
96%
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N-Alpha-(9-fluorenylmethyloxycarbonyl)-N-(4-aminobutyl)-glycine hydrochloride
CAS
908117-93-1
Catalog Number
ACM908117931
Category
Other Products
Molecular Weight
404.8872;g/mol
Molecular Formula
C21H24N2O4.HCl
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Specification
Synonyms
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-(4-aminobutyl)-glycine hydrochloride;
IUPAC Name
2-[4-aminobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]aceticacid;hydrochloride
Canonical SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CCCCN)CC(=O)O.Cl
InChI Key
MBHKMMQEFPEQOO-UHFFFAOYSA-N
Exact Mass
368.17400
What is the molecular formula of the compound?
The molecular formula of the compound is C21H25ClN2O4.
What is the molecular weight of the compound?
The molecular weight of the compound is 404.9 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-[4-aminobutyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid; hydrochloride.
What is the InChI key of the compound?
The InChI key of the compound is MBHKMMQEFPEQOO-UHFFFAOYSA-N.
What is the canonical SMILES notation of the compound?
The canonical SMILES notation of the compound is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N(CCCCN)CC(=O)O.Cl.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 3.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 5.
What is the rotatable bond count of the compound?
The rotatable bond count of the compound is 9.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 92.9?2.
How many heavy atoms are present in the compound?
There are 28 heavy atoms present in the compound.
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