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3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile

3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile structure

CAS No:
43052-77-3
Formula:
C13H14N2O2
Chemical Name:
3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile
Synonyms:
1-Isoquinolineacetonitrile,3,4-dihydro-6,7-dimethoxy-;3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile;1-(Cyanomethyl)-3,4-dihydro-6,7-dimethoxyisoquinoline;NSC 187770;2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile

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3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile Basic Attributes

Molecular Weight：

230.26 g/mol

Exact Mass：

230.26

NSC Number：

187770

DSSTox ID：

DTXSID10307118

Characteristics

PSA：

54.6 Å²

Melting Point：

177 °C @ Solvent: Ethanol

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:230.26
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:230.105527694
Monoisotopic Mass:230.105527694
Topological Polar Surface Area:54.6
Heavy Atom Count:17
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dihydro-6,7-dimethoxy-1-isoquinolineacetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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