Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-amino-, (1R,2S,3R,4S)-

Iupac Name：calcium;2-hydroxypropanoate

CAS No.: 814-80-2

Molecular Weight：218.218

Modify Date.: 2022-03-23 07:02

1. Names and Identifiers

1.1 Name: Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-amino-, (1R,2S,3R,4S)-
1.2 Synonyms: (1R,2S,3R,4S)-2-Aminobicyclo[2.2.1]heptane-2,3-dicarboxylic acid Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-amino-, [1R-(exo,exo)]- (9CI) CTK2H6036 DTXSID70724201

1.6 Inchi: InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2

2. Properties

3.1 Refractive index: INDEX OF REFRACTION: 1.470 (ALPHA), 1.510 (GAMMA); ELONGATION: +, EXTINCTION PARALLEL

3. Safety and Handling

4. MSDS

Eye irritation, Category 2

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H320 Causes eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

none

5. Computational chemical data

Molecular Weight: 218.218g/mol
Molecular Formula: C_₁₀H_₁₀F_₂S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 218.0103289
Monoisotopic Mass: 218.0103289
Complexity: 53.5
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 121
Heavy Atom Count: 13
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: 3
CACTVS Substructure Key Fingerprint: AAADccBgOAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAIAACQCAIAAAAAAAAAAAFAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Realated Product Infomation

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791564-46-0 Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 2-amino-, (1S,2S,3R,4R)-

351870-33-2 CIS-ENDO-BICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLICACID,DISODIUMSALT

791048-62-9 Bicyclo[2.2.1]heptane-2,6-dicarboxylicacid, 2-amino-, (1R,2R,4S,6R)-rel-(+)-

243986-89-2 Bicyclo[2.2.1]heptane-2,6-dicarboxylicacid, 2-amino-, (1R,2R,4S,6R)-rel-

5307-69-7 Bicyclo[2.2.1]heptane-2,3-dicarboxylicacid, 5-chloro-6-nitroso-

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