2-Methylisoindoline-4,5-diamine
Basic information
- CAS
156694-49-4- Standard SMILES
CN1Cc2ccc(N)c(N)c2C1- InChIKey
UGGNLJBEFFEQOP-UHFFFAOYSA-N- Molecular formula
- C9H13N3
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.11094743
Names & identifiers
- Preferred name
- 2-Methylisoindoline-4,5-diamine
- IUPAC
- 2-methyl-1,3-dihydroisoindole-4,5-diamine
- English name
- 1H-Isoindole-4,5-diamine, 2,3-dihydro-2-methyl-
- Molecular formula
- C9H13N3
- Molecular weight
- 163.22
Names & synonyms
2-Methylisoindoline-4,5-diamine156694-49-42-methyl-2,3-dihydro-1H-isoindole-4,5-diamine2-methyl-1,3-dihydroisoindole-4,5-diamine1H-Isoindole-4,5-diamine, 2,3-dihydro-2-methyl-SCHEMBL67843691H-Isoindole-4,5-diamine, 2,3-dihydro-2-methyl-
Database identifiers
- CAS
156694-49-4- PubChem CID
- 22742453
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
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Related reactions
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Compound notes
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