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1250443-39-0 | 1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-, hydrochloride (1:1)
CAS No: 1250443-39-0 Catalog No: AG000N0W MDL No:MFCD16987808
Product Description
Catalog Number:
AG000N0W
Chemical Name:
1H-Isoindol-1-one, 6-(aminomethyl)-2,3-dihydro-, hydrochloride (1:1)
CAS Number:
1250443-39-0
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD16987808
IUPAC Name:
6-(aminomethyl)-2,3-dihydroisoindol-1-one;hydrochloride
InChI:
InChI=1S/C9H10N2O.ClH/c10-4-6-1-2-7-5-11-9(12)8(7)3-6;/h1-3H,4-5,10H2,(H,11,12);1H
InChI Key:
PHAHVBHGQKJFFS-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)C(=O)NC2.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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