53661-19-1

53661-19-1 structure

Name: 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Name: 3-amino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Number: 53661-19-1
Molecular Formula: C₁₀H₁₁N₃
Molecular Weight: 173.21400
Create Date: 2018-06-11 19:19:12
Modify Date: 2024-01-03 12:17:56

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

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

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

HS Code	2933499090

88745-29-3

~63%

53661-19-1

Literature: Granik, V. G.; Smetskaya, N. I.; Mukhina, N. A.; Persianova, I. V.; Klimenko, V. G. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983 , vol. 19, # 9 p. 1027 - 1030 Khimiya Geterotsiklicheskikh Soedinenii, 1983 , # 9 p. 1279 - 1282

4354-73-8

53661-19-1

Precursor 2
88745-29-3 4354-73-8
DownStream 5
69958-52-7 130688-32-3 130688-31-2 88745-34-0
93587-46-3

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%

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