Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed X   > XFBFNTNDFXDYEC-WSZWBAFRSA-N
2198-61-0 structure

XFBFNTNDFXDYEC-WSZWBAFRSA-N

Iupac Name:3-methylbutyl hexanoate
CAS No.:2198-61-0
Molecular Weight:186.295
Molecular Formula:C9H9N3OS (isomer)
Names and Identifiers
Synonyms

(1s,4s)-2-boc-2,5-diazabicyclo[2.2.1]heptane hydrochloride (1s,4s)-t-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hcl (1s,4s)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1s,4s)-tert-butyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride AB0000266 AKOS015844484 B-1901 BG00942088 I14-5329 KB-00828 KB-211099 KB-271542 mfcd08457792 SCHEMBL1176727 tert-butyl (1s,4s)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Inchi
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChkey
XVSZRAWFCDHCBP-UHFFFAOYSA-N
Canonical Smiles
CCCCCC(=O)OCCC(C)C
Properties
Melting Point
250 - 251
Vapour
0.0861mmHg at 25°C
Refractive Index
1.42
HS Code
29159080
Safety and Handling
PackingGroup
III
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 2198-61-0 EC: XFBFNTNDFXDYEC-WSZWBAFRSA-N ·ECHA C&L Inventory for CAS: CAS: 2198-61-0 EC: XFBFNTNDFXDYEC-WSZWBAFRSA-N
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:186.295g/mol
  • Molecular Formula:C9H9N3OS
  • Compound Is Canonicalized:True
  • Exact Mass:186.162
  • Monoisotopic Mass:186.162
  • Complexity:130
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • 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: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAGISAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-62049400
  • Fax:86-21-32271126
  • Tel:021-56444073
  • Fax:021-56440867
 
<