CAS
948290-77-5 Purity
96%
948290-77-5 Purity
96%
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4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline
CAS
948290-88-8
Catalog Number
ACM948290888
Category
Other Products
Molecular Weight
365.26
Molecular Formula
C17H21BrN2O2
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Specification
Synonyms
4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline, 948290-88-8, AGN-PC-01A9G2, ZINC32099253, AB51596, tert-butyl N-(6-bromo-2-propylquinolin-4-yl)carbamate
IUPAC Name
tert-butyl N-(6-bromo-2-propylquinolin-4-yl)carbamate
SMILES
CCCC1=NC2=C(C=C(C=C2)Br)C(=C1)NC(=O)OC(C)(C)C
InChI Key
VMAQLZQFIHWVET-UHFFFAOYSA-N
Boiling Point
413.2ºC at 760 mmHg
Flash Point
203.7ºC
Density
1.346g/cm³
Exact Mass
364.07900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The molecular formula is C17H21BrN2O2.
When was the PubChem CID for 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline created and last modified?
It was created on November 13, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The IUPAC name is tert-butyl N-(6-bromo-2-propylquinolin-4-yl)carbamate.
What is the Canonical SMILES representation of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The Canonical SMILES is CCCC1=CC(=C2C=C(C=CC2=N1)Br)NC(=O)OC(C)(C)C.
What is the molecular weight of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The molecular weight is 365.3 g/mol.
What is the InChIKey of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The InChIKey is VMAQLZQFIHWVET-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline?
The topological polar surface area is 51.2Ų.
Does 4-tert-Butoxycarbonylamino-6-bromo-2-propylquinoline have any defined atom stereocenters?
No, it has 0 defined atom stereocenters.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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