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Decahydroquinoline

Decahydroquinoline structure

CAS No:
2051-28-7
Formula:
C9H17N
Chemical Name:
Decahydroquinoline
Synonyms:
Quinoline,decahydro-;Decahydroquinoline;2-Azabicyclo[4.4.0]decane;Perhydroquinoline;1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear colorless to light yellow low melting solid

Decahydroquinoline Basic Attributes

Molecular Weight：

139.24

Exact Mass：

139.24

EC Number：

218-116-7

HScode：

29334900

Characteristics

PSA：

XLogP3：

Appearance：

Clear colorless to light yellow Melting Solid

Density：

0.9147 g/cm³ @ Temp: 14 °C

Melting Point：

45.5 °C

Boiling Point：

207-210 °C

Flash Point：

155 °F

Refractive Index：

n20/D 1.4916(lit.)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.315mmHg at 25°C

Safety Information

Transport codes：

UN30829/PG3

wgk germany：

hazard class code：

36/37/38-51/53-22

safety instructions：

26-36/37/39-24/25-61

Marks：

Xi,N,Xn

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

S24/25

RIDADR：

UN 3082 9/PG 3

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (97.5%): 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 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

cis-decahydroquinoline-5-carboxylic acid

Decahydroquinoline Use and Manufacturing

Uses

Used in organic synthesis.

Manufacturing Info：

Quinoline, decahydro-: ACTIVE

Computed Properties

Molecular Weight:139.24
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:139.136099547
Monoisotopic Mass:139.136099547
Topological Polar Surface Area:12
Heavy Atom Count:10
Complexity:111
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes