(1R,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | CAS No. 485-35-8

(1R,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

Basic Information

CAS Number

485-35-8

Molecular Formula

C11H14N2O

Molecular Weight

190.25 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

154.0 to 158.0 deg-C

Boiling Point

218 °C/2 mmHg

Flash Point

203.6 °C

Solubility

439g/l

Refractive Index

1.5700 (estimate)

Vapor Pressure

7.61X10-6 mm Hg at 25 °C (est)

Specific Rotation

D17 -120°

C1C2CNCC1C3=CC=CC(=O)N3C2

InChI

InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1

InChIKey

ANJTVLIZGCUXLD-DTWKUNHWSA-N

LogP

0.5549999999999999

pKa

6.11, 13.08(at 25℃)

Topological Polar Surface Area

34.03 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

332

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301
H315H315
H319H319
H335H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Toxicity

LD50 in mice (mg/kg): 1.73 i.v.; 9.4 i.p.; 101 orally (Barlow, McLeod)

Synonyms & References

English

  • Cytizin
  • AC-34317
  • cystisin
  • s2287
  • Tabax
  • DB09028
  • UNII-53S5U404NU
  • Cystisine
  • Cytisine, >=99%, powder
  • CYTISINE (MART.)
  • Prestwick3_000624
  • HB2033
  • NCGC00025138-01
  • NCGC00016463-02
  • 1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R)-
  • 1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-
  • ANJTVLIZGCUXLD-DTWKUNHWSA-N
  • 1,5-Methano-8H-pyrido(1,2-a)(1,5)diazocin-8-one, 1,2,3,4,5,6-hexahydro-, (1R,5S)-
  • Cytisine- Bio-X
  • NSC407282
  • CS-0007888
  • NCGC00016463-04
  • EINECS 207-616-0
  • Prestwick_140
  • C5E
  • CHEMBL497939
  • (1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido-(1,2-a)(1,5)diazocin-8-one
  • F9994-5373
  • 115051-74-6
  • HMS3884L11
  • BSPBio_000588

MDL Number

MFCD00136048

Customs Code

2933990090

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