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Acetamide, N,N-diethyl-2-(1,8-epoxy-p-menth-2-ylamino)- structure
Acetamide, N,N-diethyl-2-(1,8-epoxy-p-menth-2-ylamino)- structure

Acetamide, N,N-diethyl-2-(1,8-epoxy-p-menth-2-ylamino)-

Iupac Name:(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid
CAS No.:56-89-3
Molecular Weight:240.30048
1. Names and Identifiers
1.1 Name
Acetamide, N,N-diethyl-2-(1,8-epoxy-p-menth-2-ylamino)-
1.2 Synonyms

BRN 1250283 DTXSID60918617 N,N-Diethyl-2-(1,8-epoxy-p-menth-2-ylamino)acetamide N,N-Diethyl-N~2~-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)glycinamide

1.3 CAS No.
56-89-3
1.4 CID
67678
1.5 EINECS(EC#)
296-993-5
1.6 Molecular Formula
C16H26N2O (isomer)
1.7 Inchi
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
1.8 InChkey
LEVWYRKDKASIDU-IMJSIDKUSA-N
1.9 Canonical Smiles
C(C(C(=O)O)N)SSCC(C(=O)O)N
1.10 Isomers Smiles
C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N
2. Properties
3.1 Melting point
260-261℃
3.1 Refractive index
-222.5 ° (C=1, 1mol/L HCl)
3.1 Precise Quality
240.02400
3.1 PSA
177.24000
3.1 logP
0.59220
3. Safety and Handling
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25
4.1 Packing Group
III
4.1 RIDADR
25kgs
4.1 WGK Germany
3
4.1 RTECS
HA2690000
4. 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

5. Computational chemical data
  • Molecular Weight:240.30048g/mol
  • Molecular Formula:C16H26N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:_6.3
  • Exact Mass:240.02384922
  • Monoisotopic Mass:240.02384922
  • Complexity:192
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:177
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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