CAS
94159-23-6 Purity
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94159-23-6 Purity
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1-Propanaminium,N-(2-hydroxyethyl)-N,N-dimethyl-3-[[(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)carbonyl]amino]-,chloride(1:1)
CAS
94159-27-0
Catalog Number
ACM94159270
Category
Other Products
Molecular Weight
404.8872
Molecular Formula
C21H25N2O4.Cl
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Specification
Synonyms
(2-hydroxyethyl)dimethyl[3-[[(3-oxo-3H-naphtho[2,1-b]pyran-2-yl)carbonyl]amino]propyl]ammonium chloride
IUPAC Name
2-hydroxyethyl-dimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]azanium;chloride
Canonical SMILES
C[N+](C)(CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O)CCO.[Cl-]
InChI Key
VBYAGSJMNYXFCJ-UHFFFAOYSA-N
Density
g/cm³
EC Number
303-205-6
Exact Mass
404.15000
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 44148189?
The molecular formula is C21H25ClN2O4.
What is the molecular weight of the compound?
The molecular weight is 404.9 g/mol.
What are some synonyms of the compound?
Some synonyms include 94159-27-0 and FYD37G568Z.
When was the compound created in the database?
The compound was created on 2009-08-20.
What is the IUPAC name of the compound?
The IUPAC name is 2-hydroxyethyl-dimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]azanium;chloride.
What is the InChIKey of the compound?
The InChIKey is VBYAGSJMNYXFCJ-UHFFFAOYSA-N.
What is the Canonical SMILES representation of the compound?
C[N+](C)(CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O)CCO.[Cl-]
What is the CAS number of the compound?
The CAS number is 94159-27-0.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
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