3,4-Dihydro-6,7-dimethoxyisoquinoline

C11H13NO2CAS 3382-18-1191.23 g/mol

Open in Covalent MOL file
OON
EtherImine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
Boiling point
205–208 °C
logP
1.68Crippen estimate
Polar surface area
30.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3382-18-1
SMILES
COc1cc2c(cc1OC)CCN=C2
InChIKey
NSLJVQUDZCZJLK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Isoquinoline, 3,4-dihydro-6,7-dimethoxy-
  • 6,7-Dimethoxy-3,4-dihydroisoquinoline
  • 3,4-Dihydrobackebergine
  • Dehydroheliamine
  • NSC 627588

Work with 3,4-Dihydro-6,7-dimethoxyisoquinoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride20232-39-7Salt

Similar compounds

7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline4602-73-774 % similar 6,7-Dihydroxy-3,4-dihydroisoquinoline4602-83-951 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-943 % similar 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride2328-12-341 % similar 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one73942-87-741 % similar 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline6957-27-339 % similar Asarone2883-98-939 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook