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121821-01-0 | 1H-Isoindole-1,3(2H)-dione, 2-(3-aminopropyl)-, hydrochloride (1:1)
CAS No: 121821-01-0 Catalog No: AG00163A MDL No:MFCD00035196
Product Description
Catalog Number:
AG00163A
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(3-aminopropyl)-, hydrochloride (1:1)
CAS Number:
121821-01-0
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
MDL Number:
MFCD00035196
IUPAC Name:
2-(3-aminopropyl)isoindole-1,3-dione;hydrochloride
InChI:
InChI=1S/C11H12N2O2.ClH/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;/h1-2,4-5H,3,6-7,12H2;1H
InChI Key:
GEFZFHTWRMQGOO-UHFFFAOYSA-N
SMILES:
NCCCN1C(=O)c2c(C1=O)cccc2.Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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