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Primin

Primin structure

CAS No:
15121-94-5
Formula:
C12H16O3
Chemical Name:
Primin
Synonyms:
2,5-Cyclohexadiene-1,4-dione,2-methoxy-6-pentyl-;p-Benzoquinone,2-methoxy-6-pentyl-;2-Methoxy-6-pentyl-2,5-cyclohexadiene-1,4-dione;Primin;2-Methoxy-6-pentyl-1,4-benzoquinone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Primin is a 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position. It has a role as a hapten, a metabolite, an antimicrobial agent, an antifeedant and an allergen.

Primin Basic Attributes

Molecular Weight：

208.25 g/mol

Exact Mass：

208.25

UNII：

580KA9SG8W

DSSTox ID：

DTXSID20164734

Characteristics

PSA：

43.4 Å²

Melting Point：

63 °C

Boiling Point：

163 °C @ Press: 3 Torr

Safety Information

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P312, P321, P322, P330, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-methoxy-6-n-pentyl-p-benzoquinone

Computed Properties

Molecular Weight:208.25
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:208.109944368
Monoisotopic Mass:208.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes