(1R,9R,13E)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one | CAS No. 102518-79-6

(1R,9R,13E)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0~2,7~]trideca-2(7),3,10-trien-5-one

Basic Information

CAS Number

102518-79-6

Molecular Formula

C15H18N2O

Molecular Weight

242.32 g/mol

AD

Basic Physical Properties

Melting Point

230.0 to 234.0 deg-C

Boiling Point

505.0±50.0℃ at 760 mmHg

Density

1.2 g/cm3

Flash Point

259.2ºC

Solubility

Methanol; Chloroform; DMSO

Refractive Index

1.626

Vapor Pressure

0.0±1.3 mmHg at 25°C

Specific Rotation

-147° (c=0.36, in CH3OH)

CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3

InChI

InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1

InChIKey

ZRJBHWIHUMBLCN-YQEJDHNASA-N

LogP

1.9975

Topological Polar Surface Area

58.879999999999995 Ų

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

551

Safety Information

View Safety Information

GHS Hazard Pictograms

H300H300
H310H310
H315H315
H319H319
H330H330
H335H335

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral
H310 Fatal in contact with skin
Acute toxicity, dermal
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H330 Fatal if inhaled
Acute toxicity, inhalation
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℃

Synonyms & References

English

  • KBio3_001908
  • Selagine
  • SR-01000781266-3
  • NC00418
  • CCG-101168
  • Q27166443
  • HuperzineA
  • BSPBio_002688
  • (1R,9S,13E)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
  • LSM-5567
  • C90354
  • SCHEMBL16789797
  • SMP1_000153
  • C15H18N2O
  • Spectrum2_000835
  • 120786-18-7
  • (-)- HUPPERZINE A
  • (1R,9R,13Z)-1-Amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
  • (-)-huperzine A
  • (-)-Selagine
  • Spectrum5_001701
  • HupA
  • KBioGR_001698
  • AC-488
  • SR-01000781266-4
  • Fordine
  • Huperzine A
  • SMR000469231
  • HMS2052D07
  • CHEMBL4515144
  • SR-01000781266

MDL Number

MFCD01714949

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