Basic information
- CAS
444199-08-0- Standard SMILES
NCC1CCc2c[nH]cc2C1- InChIKey
AHQVWVILFQJKSM-UHFFFAOYSA-N- Molecular formula
- C9H14N2
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.11569846
Names & identifiers
- Preferred name
- (4,5,6,7-Tetrahydro-2H-isoindol-5-yl)methanamine
- IUPAC
- 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine
- English name
- 2H-Isoindole-5-methanamine,4,5,6,7-tetrahydro-
- Molecular formula
- C9H14N2
- Molecular weight
- 150.22086
Names & synonyms
444199-08-0(4,5,6,7-Tetrahydro-2H-isoindol-5-yl)methanamineSCHEMBL4425472AKOS0063318112H-Isoindole-5-methanamine,4,5,6,7-tetrahydro-2H-Isoindole-5-methanamine,4,5,6,7-tetrahydro-(9CI)
Database identifiers
- CAS
444199-08-0- PubChem CID
- 12973048
- Nikkaji
- J1.701.474I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
AQS-USA.INC.—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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