CAS
2941-62-0 Purity
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2941-62-0 Purity
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1-Benzyl-4-chlorophthalazine
CAS
40848-53-1
Catalog Number
ACM40848531
Category
Other Products
Molecular Weight
254.72
Molecular Formula
C15H11ClN2
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- Product Description
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Specification
Synonyms
1-benzyl-4-chlorophthalazine, 40848-53-1, ZINC01393427, ACMC-1APVJ, AC1O4EAQ, AC1Q3KXG, 1-chloro-4-benzylphthalazine, 4-chloro-1-benzylphthalazine, 1-Benzyl-4-chloro-phthalazine, CTK4I3891, MolPort-000-872-113, BB_SC-2497, BBL009919, SBB040957, STK365150, AKOS000269089, AG-F-45149, MCULE-1943576910, Phthalazine,1-chloro-4-(phenylmethyl)-, KB-90569
IUPAC Name
1-benzyl-4-chlorophthalazine
Canonical SMILES
C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)Cl
InChI Key
COIJTZLLJUXFNV-UHFFFAOYSA-N
Boiling Point
463.6ºC at 760mmHg
Flash Point
266.5ºC
Density
1.265g/cm³
Exact Mass
254.06100
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Benzyl-4-chlorophthalazine?
The molecular formula of 1-Benzyl-4-chlorophthalazine is C15H11ClN2.
What is the molecular weight of 1-Benzyl-4-chlorophthalazine?
The molecular weight of 1-Benzyl-4-chlorophthalazine is 254.71 g/mol.
What is the IUPAC name of 1-Benzyl-4-chlorophthalazine?
The IUPAC name of 1-Benzyl-4-chlorophthalazine is 1-benzyl-4-chlorophthalazine.
What is the InChI of 1-Benzyl-4-chlorophthalazine?
The InChI of 1-Benzyl-4-chlorophthalazine is InChI=1S/C15H11ClN2/c16-15-13-9-5-4-8-12(13)14(17-18-15)10-11-6-2-1-3-7-11/h1-9H,10H2.
What is the InChIKey of 1-Benzyl-4-chlorophthalazine?
The InChIKey of 1-Benzyl-4-chlorophthalazine is COIJTZLLJUXFNV-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Benzyl-4-chlorophthalazine?
The canonical SMILES of 1-Benzyl-4-chlorophthalazine is C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)Cl.
What is the CAS registry number of 1-Benzyl-4-chlorophthalazine?
The CAS registry number of 1-Benzyl-4-chlorophthalazine is 40848-53-1.
What is the XLogP3-AA value of 1-Benzyl-4-chlorophthalazine?
The XLogP3-AA value of 1-Benzyl-4-chlorophthalazine is 4.
How many hydrogen bond donor counts does 1-Benzyl-4-chlorophthalazine have?
1-Benzyl-4-chlorophthalazine has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-Benzyl-4-chlorophthalazine have?
1-Benzyl-4-chlorophthalazine has 2 hydrogen bond acceptor counts.
Downstream Synthesis Route 1
- 40848-53-1
- 26905-03-3
- 1057677-46-9
Reference: [1]Current Patent Assignee: Novartis (w/o Sandoz); NOVARTIS AG - WO2008/110611, 2008, A1
Location in patent: Page/Page column 49
Downstream Synthesis Route 2
- 40848-53-1
- 75336-86-6
- 1057682-11-7
Reference: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 3954 - 3968
[2]Patent: WO2008/110611,2008,A1 .Location in patent: Page/Page column 36
[3]Journal of Medicinal Chemistry,2014,vol. 57,p. 5074 - 5084
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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