CAS
905808-37-9 Purity
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905808-37-9 Purity
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2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline
CAS
905810-24-4
Catalog Number
ACM905810244
Category
Other Products
Molecular Weight
224.686720 [g/mol]
Molecular Formula
C11H13ClN2O
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Specification
Synonyms
(3-amino-4-chlorophenyl)(pyrrolidin-1-yl)methanone, 905810-24-4, AC1Q50ZF, AGN-PC-010A7E, CTK5G8137, MolPort-002-987-795, BB_SC-7918, BBL008725, STK256823, ZINC09304514, AKOS000111750, AG-H-71689, MCULE-3367887900, 2-chloro-5-(1-pyrrolidinylcarbonyl)aniline, KB-229751, BB 0242959, EN300-61574, 2-chloro-5-[(pyrrolidin-1-yl)carbonyl]aniline, (3-amino-4-chlorophenyl)-pyrrolidin-1-ylmethanone, 2-CHLORO-5-(PYRROLIDIN-1-YLCARBONYL)ANILINE
IUPAC Name
(3-amino-4-chlorophenyl)-pyrrolidin-1-ylmethanone
Canonical SMILES
C1CCN(C1)C(=O)C2=CC(=C(C=C2)Cl)N
InChI Key
SWHCTGFQQPMRIY-UHFFFAOYSA-N
Boiling Point
417.474ºC at 760 mmHg
Flash Point
206.281ºC
Density
1.314g/cm³
Exact Mass
224.07200
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The molecular formula is C11H13ClN2O.
What is the molecular weight of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The molecular weight is 224.68 g/mol.
What is the IUPAC name of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The IUPAC name is (3-amino-4-chlorophenyl)-pyrrolidin-1-ylmethanone.
What is the InChI of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The InChI is InChI=1S/C11H13ClN2O/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,13H2.
What is the InChIKey of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The InChIKey is SWHCTGFQQPMRIY-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The XLogP3-AA value is 1.8.
What is the topological polar surface area of 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline?
The topological polar surface area is 46.3?2.
How many rotatable bond count does 2-Chloro-5-(pyrrolidin-1-ylcarbonyl)aniline have?
It has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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