Basic information
- CAS
2412-58-0- Standard SMILES
CC1=NCCc2ccccc21- InChIKey
JZZLDIIDMFCOGF-UHFFFAOYSA-N- Molecular formula
- C10H11N
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.08914936
Names & identifiers
- Preferred name
- 1-Methyl-3,4-dihydroisoquinoline
- IUPAC
- 1-methyl-3,4-dihydroisoquinoline
- English name
- NSC27893
- Molecular formula
- C10H11N
- Molecular weight
- 145.2
Names & synonyms
1-Methyl-3,4-dihydroisoquinoline2412-58-0DTXSID309469471MeDIQ compoundRefChem:76249DTXCID80929301800-807-5NSC27893MFCD00047648SCHEMBL30310orb2645542SCHEMBL29385430
Show more names
3,4-Dihydro-1-methylisoquinolineIsoquinoline, 3,4-dihydro-1-methyl-
SCHEMBL306952701-methyl-3,4-dihyroisoquinoline1-methyl-3,4 dihydroisoquinoline1-methyl-3,4-dihydro-isoquinolineCAA41258NSC-27893AKOS006229266SY119876
Database identifiers
- CAS
2412-58-0- PubChem CID
- 231502
- DTXSID
DTXSID30946947- EC Number
- 800-807-5
- Nikkaji
- J80.478I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 130 °C · 130 °C
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- liquid
- pka
- 6.4 · 6.40±0.20(Predicted)
- color
- Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers38 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Related reactions
20 records
Compound notes
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