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ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate structure

CAS No:
1424-84-6
Formula:
C13H17NO2
Chemical Name:
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Synonyms:
1424-84-6;ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;NSC351317;SCHEMBL7334819;DTXSID80319849;AKOS001920814;MCULE-3985631238;NSC-351317;ethyl (1,2,3,4-tetrahydroisoquinolyl)acetate;ethyl 1,2,3,4-tetrahydro-2-isoquinolinylacetate;Ethyl (1,2,3,4-tetrahydroisoquinolin-1-yl)acetate;1,2,3,4-Tetrahydroisoquinoline-1-acetic acid ethyl ester;(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID ETHYL ESTER

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ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate Basic Attributes

Molecular Weight：

219.28 g/mol

Exact Mass：

219.125928785 g/mol

NSC Number：

351317

DSSTox ID：

DTXSID80319849

Characteristics

PSA：

38.3 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+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:219.28
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:219.125928785
Monoisotopic Mass:219.125928785
Topological Polar Surface Area:38.3
Heavy Atom Count:16
Complexity:242
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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