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3,4-Dihydroisoquinoline

3,4-Dihydroisoquinoline structure

CAS No:
3230-65-7
Formula:
C9H9N
Chemical Name:
3,4-Dihydroisoquinoline
Synonyms:
Isoquinoline,3,4-dihydro-;3,4-Dihydroisoquinoline;NSC 3007;110229-15-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3,4-Dihydroisoquinoline Basic Attributes

Molecular Weight：

131.17

Exact Mass：

131.17

EC Number：

221-769-0

NSC Number：

3007

DSSTox ID：

DTXSID20186037

Characteristics

PSA：

12.4

XLogP3：

1.3

Density：

1.075 g/cm³ @ Temp: 40 °C

Melting Point：

175-176 °C

Boiling Point：

122-123 °C @ Press: 25 Torr

Flash Point：

91.6±22.6℃

Refractive Index：

1.6041 (589.3 nm 30℃)

Safety Information

Transport codes：

UN 2811 6.1 / PGII

wgk germany：

hazard class code：

22-24-36/38

safety instructions：

26-36/37-45

Marks：

Precautionary statement(s)：

P280-P302 + P350-P305 + P351 + P338-P310

Hazard Statements：

H302-H310-H315-H319

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P262, P264, P270, P280, P301+P312, P302+P350, P302+P352, P305+P351+P338, P310, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,4-dihydroisoquinoline

Computed Properties

Molecular Weight:131.17
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:12.4
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3230-65-7 3,4-dihydroisoquinoline

CAS No.: 3230-65-7

Grade: Industrial Grade

Content: 95%

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