CAS
99898-85-8 Purity
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99898-85-8 Purity
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![1-Adamantyl-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]methanone hydrochloride](https://resource.alfa-chemistry.com/structure/99899-46-4.gif)
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N-(3,4-Dichlorophenyl)-3-(2,2-dimethylaziridin-1-yl)propanamide
CAS
99900-86-4
Catalog Number
ACM99900864
Category
Other Products
Molecular Weight
287.185 g/mol
Molecular Formula
C13H16Cl2N2O
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Specification
Synonyms
CID57554, LS-23303, N-(3,4-Dichlorophenyl)-2,2-dimethyl-1-aziridinepropionamide, 1-AZIRIDINEPROPIONAMIDE, N-(3,4-DICHLOROPHENYL)-2,2-DIMETHYL-, N-(3,4-Dichlorophenyl)-3-(2,2-dimethyl-1-aziridinyl)propionamide, 99900-86-4
IUPAC Name
N-(3,4-dichlorophenyl)-3-(2,2-dimethylaziridin-1-yl)propanamide
Canonical SMILES
CC1(CN1CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C
InChI Key
YCFOONAIAKNBMP-UHFFFAOYSA-N
Boiling Point
431.1ºC at 760 mmHg
Flash Point
214.5ºC
Density
1.295g/cm³
Exact Mass
286.06400
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C13H16Cl2N2O.
What is the IUPAC name of the compound?
The IUPAC name is N-(3,4-dichlorophenyl)-3-(2,2-dimethylaziridin-1-yl)propanamide.
What is the molecular weight of the compound?
The molecular weight is 287.18 g/mol.
What is the CAS number of the compound?
The CAS number is 99900-86-4.
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in the compound?
There are 2 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 32.1 Å2.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is YCFOONAIAKNBMP-UHFFFAOYSA-N.
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