Basic information
- CAS
1379312-39-6- Standard SMILES
COc1ccc2cc(CN)[nH]c2c1- InChIKey
JOSIBNUFVWDZJN-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Names & identifiers
- Preferred name
- (6-Methoxy-1H-indol-2-yl)methanamine
- IUPAC
- (6-methoxy-1H-indol-2-yl)methanamine
- English name
- 1H-Indole-2-methanamine, 6-methoxy-
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
(6-Methoxy-1H-indol-2-yl)methanamine1379312-39-61-(6-methoxy-1H-indol-2-yl)methanamine1H-Indole-2-methanamine, 6-methoxy-SCHEMBL23501875SCHEMBL30920584EN300-1997579
Database identifiers
- CAS
1379312-39-6- PubChem CID
- 82503435
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 373 · 373.0±27.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 17.55 · 17.55±0.30(Predicted)
Chemistry & industry
Suppliers4 total
上海策嵘生物科技有限公司[email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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