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Decahydroisoquinoline

Decahydroisoquinoline structure

CAS No:
6329-61-9
Formula:
C9H17N
Chemical Name:
Decahydroisoquinoline
Synonyms:
Isoquinoline,decahydro-;Decahydroisoquinoline;Perhydroisoquinoline;NSC 43479;Octahydroisoquinoline;1,2,3,4,4a,5,6,7,8,8a-Decahydroisoquinoline;60168-04-9
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Decahydroisoquinoline Basic Attributes

Molecular Weight：

139.24

Exact Mass：

139.24

EC Number：

228-702-4

NSC Number：

43479

DSSTox ID：

DTXSID50454534

HScode：

2933499090

Characteristics

PSA：

XLogP3：

2.48

Density：

0.936 g/mL at 25 °C(lit.)

Melting Point：

180 °C

Boiling Point：

97-98 °C @ Press: 15 Torr

Flash Point：

175 °F

Refractive Index：

n20/D 1.4904(lit.)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|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|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:139.24
XLogP3:2.2
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