Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed C   > C-PHENYL-C-THIOPHEN-2-YL-METHYLAMINE HYDROCHLORIDE
58-85-5 structure

C-PHENYL-C-THIOPHEN-2-YL-METHYLAMINE HYDROCHLORIDE

Iupac Name:5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
CAS No.:58-85-5
Molecular Weight:244.31
Molecular Formula:C8H12O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChkey
YBJHBAHKTGYVGT-ZKWXMUAHSA-N
Canonical Smiles
C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
Isomers Smiles
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
Properties
Melting Point
231-233 °C(lit.)
Boiling Point
416.3°C at 760 mmHg
Vapour
1.19E-14mmHg at 25°C
Refractive Index
90.5 ° (C=2, 0.1mol/L NaOH)
Alpha
89 o (C=1, 0.1N NAOH)
HS Code
29362930
Safety and Handling
Risk Statements
20/21/22-36/37/38
Safety Statements
24/25-36-26
Transport
OTH
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:244.31g/mol
  • Molecular Formula:C8H12O3
  • Compound Is Canonicalized:True
  • Exact Mass:244.088
  • Monoisotopic Mass:244.088
  • Complexity:298
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:104A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMABAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAWAAAAAAAAHgQQCAAACCjFwASBCALAAggI AACQGAAAAAAAABAAAIEIAACAQBIggAAUQAAMFgIgAAGYyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
 
<