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Longicyclene

Longicyclene structure

CAS No:
1137-12-8
Formula:
C15H24
Chemical Name:
Longicyclene
Synonyms:
1,2,4-Methenoazulene,decahydro-1,5,5,8a-tetramethyl-,(1S,2R,3aR,4R,8aR,9S)-;1,2,4-Methenoazulene,decahydro-1,5,5,8a-tetramethyl-;1,2,4-Methenoazulene,decahydro-1,5,5,8a-tetramethyl-,[1S-(1α,2α,3aβ,4α,8aβ,9R*)]-;(1S,2R,3aR,4R,8aR,9S)-Decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene;Longicyclene;(+)-Longicyclene;Longicycline;19888-21-2
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Longicyclene Basic Attributes

Molecular Weight：

204.35

Exact Mass：

204.35

EC Number：

214-504-5

DSSTox ID：

DTXSID90858739

HScode：

2902909090

Characteristics

PSA：

0.00000

XLogP3：

6.07

Density：

0.9307 g/cm³ @ Temp: 30 °C

Boiling Point：

82 °C @ Press: 2 Torr

Flash Point：

92 °C

Refractive Index：

n 20/D 1.493

Vapor Pressure：

0.0614mmHg at 25°C

Safety Information

Transport codes：

UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)

wgk germany：

Precautionary statement(s)：

P273-P391-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 48 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:204.35
XLogP3:5
Exact Mass:204.187800766
Monoisotopic Mass:204.187800766
Heavy Atom Count:15
Complexity:342
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes