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261787-78-4 | 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanimidamide hydrochloride
CAS No: 261787-78-4 Catalog No: AG01ELOB MDL No:MFCD22576850
Product Description
Catalog Number:
AG01ELOB
Chemical Name:
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanimidamide hydrochloride
CAS Number:
261787-78-4
Molecular Formula:
C11H12ClN3O2
Molecular Weight:
253.6849
MDL Number:
MFCD22576850
IUPAC Name:
3-(1,3-dioxoisoindol-2-yl)propanimidamide;hydrochloride
InChI:
InChI=1S/C11H11N3O2.ClH/c12-9(13)5-6-14-10(15)7-3-1-2-4-8(7)11(14)16;/h1-4H,5-6H2,(H3,12,13);1H
InChI Key:
ZLLFSWNFEMJNKW-UHFFFAOYSA-N
SMILES:
NC(=N)CCN1C(=O)c2c(C1=O)cccc2.Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.686g/mol
Monoisotopic Mass:
253.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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