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Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Vitamins, Amino Acids and Coenzymes  /  Pharmaceutical  /  Food Additives
Cyclopentanecarboxylicacid, 1-(aminomethyl)-, methyl ester structure
Cyclopentanecarboxylicacid, 1-(aminomethyl)-, methyl ester structure

Cyclopentanecarboxylicacid, 1-(aminomethyl)-, methyl ester

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
Cyclopentanecarboxylicacid, 1-(aminomethyl)-, methyl ester
1.2 Synonyms

99092-03-2 AKOS011888335 Cyclopentanecarboxylic acid, 1-(aminomethyl)-, methyl ester Cyclopentanecarboxylic acid, 1-(aminomethyl)-, methyl ester MCULE-9787977893 methyl 1-(aminomethyl)cyclopentane-1-carboxylate methyl 1-(aminomethyl)cyclopentanecarboxylate methyl1-(aminomethyl)cyclopentane-1-carboxylate ZINC14007543

1.3 CAS No.
56-89-3
1.4 CID
67678
1.5 Molecular Formula
C5H2N4S (isomer)
1.6 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
1.7 InChkey
LEVWYRKDKASIDU-IMJSIDKUSA-N
1.8 Canonical Smiles
C(C(C(=O)O)N)SSCC(C(=O)O)N
1.9 Isomers Smiles
C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N
2. 3D Conformer
3. Properties
3.1 Melting Point
260-261℃
3.2 Refractive Index
-222.5 ° (C=1, 1mol/L HCl)
3.3 Alpha
-224 o(C=2 IN 1M HCL)
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
4.3 PackingGroup
III
4.4 Transport
25kgs
5. 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

6. Computational chemical data
  • Molecular Weight:240.30048g/mol
  • Molecular Formula:C5H2N4S
  • Exact Mass:240.023848
  • Monoisotopic Mass:240.023848
  • 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:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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