3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Names

[ CAS No. ]:
53661-19-1

[ Name ]:
3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

[Synonym ]:
3-Amino-4-cyano-5,6,7,8-tetrahydroisoquinoline
3-Amino-4-cyano-5,6,7,8-tetrahydroisochinoline
5,6,7,8-Tetrahydro-3-amino-4-isoquinolinecarbonitrile
KBLVALNQDHHHHA-UHFFFAOYSA
2-Amino-3-cyano-4,5-tetramethylenepyridine
4-Isoquinolinecarbonitrile,5,6,7,8-tetrahydro-3-amino
3-amino-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

Chemical & Physical Properties

[ Density]:
1.21g/cm3

[ Boiling Point ]:
358.9ºC at 760 mmHg

[ Molecular Formula ]:
C10H11N3

[ Molecular Weight ]:
173.21400

[ Flash Point ]:
170.9ºC

[ Exact Mass ]:
173.09500

[ PSA ]:
62.70000

[ LogP ]:
1.99548

[ Index of Refraction ]:
1.606

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW6984300
CHEMICAL NAME :
4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-3-amino-
CAS REGISTRY NUMBER :
53661-19-1
BEILSTEIN REFERENCE NO. :
0394980
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H11-N3
MOLECULAR WEIGHT :
173.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 24,346,1990

Safety Information

[ HS Code ]:
2933499090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-[(2E)-2-(dimethylaminomethylidene)cyclohexylidene]propanedinitrile
  • CYCLOHEXYLIDENEMALONONITRILE

DownStream

  • 5,6,7,8-Tetrahydro-3-isoquinolinamine
  • 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
  • 4-Isoquinolinecarboxylicacid,3-amino-5,6,7,8-tetrahydro-(9CI)
  • ethyl 11-cyano-4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate
  • ethyl 4-oxo-7,8,9,10-tetrahydropyrimido[1,2-b]isoquinoline-3-carboxylate

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-(1-Aminocyclooctyl)thian-3-ol
  • Tert-butyl 3-(4-aminooxan-4-yl)-3-hydroxyazetidine-1-carboxylate
  • 1-Fluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
  • 1-({Bicyclo[4.1.0]heptan-7-yl}amino)-3-fluoropropan-2-ol
  • 1-{1-[(Tert-butoxy)carbonyl]-3-hydroxyazetidin-3-yl}-3,3,5,5-tetramethylcyclohexane-1-carboxylic acid
  • 3-(1-Hydroxycyclopentyl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
  • 3-(3-Hydroxythiolan-3-yl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
  • 3-(2-Hydroxypropan-2-yl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
  • 3-{1-[(Tert-butoxy)carbonyl]-3-hydroxypiperidin-3-yl}-1-azabicyclo[2.2.2]octane-3-carboxylic acid
  • 3-(3-Hydroxyazetidin-3-yl)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
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