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Home> Hot Product Listed S   > Spiro[1H-indene-1,4'-piperidine]-1'-carboxylicacid, 3-amino-2,3-dihydro-6-methoxy-, 1,1-dimethylethy...
54417-53-7 structure

Spiro[1H-indene-1,4'-piperidine]-1'-carboxylicacid, 3-amino-2,3-dihydro-6-methoxy-, 1,1-dimethylethyl ester

Iupac Name:(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS No.:54417-53-7
Molecular Weight:379.87800
Molecular Formula:C15H19NO3 (isomer)
Names and Identifiers
Synonyms

4573AJ AK-36832 AKOS022175507 AM804845 BG01045031 DTXSID30678296 FT-0646705 KB-255577 tert-butyl 3-amino-6-methoxy-2,3-dihydro-1'h-spiro[indene-1,4'-piperidine]-1'-carboxylate tert-butyl 3-amino-6-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate tert-butyl 3-amino-6-methoxy-2,3-dihydrospiro[indene-1,4-piperidine]-1-carboxylate tert-butyl3-amino-6-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-1'-carboxylate

Inchi
InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H/t16-;/m1./s1
InChkey
VMPLLPIDRGXFTQ-PKLMIRHRSA-N
Canonical Smiles
COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Properties
Density
1.3
Refractive Index
1.549
HS Code
2933499090
Safety and Handling
Risk Statements
R22; R52/53
Safety Statements
S22-S61
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:379.87800g/mol
  • Molecular Formula:C15H19NO3
  • Compound Is Canonicalized:True
  • Exact Mass:379.155
  • Monoisotopic Mass:379.155
  • Complexity:407
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:49A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB6OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxQAAAHgAQAAAADCzBmAYyBoLABACA AiBCAACCCAAgIAAIiIAOjIgNJiKEsRuEMCpk0BGKqAew0PMOoAABAAAQQABAAAIAACCAAAAAAAAA AA==
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