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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Basic Organic Chemicals  /  Others  /  Organic Acid  /  Organic Intermediate
rac-(5R,6S)-1-oxaspiro[4.4]nonan-6-amine hydrochloride structure
rac-(5R,6S)-1-oxaspiro[4.4]nonan-6-amine hydrochloride structure

rac-(5R,6S)-1-oxaspiro[4.4]nonan-6-amine hydrochloride

Iupac Name:2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CAS No.:60-00-4
Molecular Weight:292.24264
1. Names and Identifiers
1.1 Name
rac-(5R,6S)-1-oxaspiro[4.4]nonan-6-amine hydrochloride
1.2 CAS No.
60-00-4
1.3 CID
6049
1.4 Inchi
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
1.5 InChkey
KCXVZYZYPLLWCC-UHFFFAOYSA-N
1.6 Canonical Smiles
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
1.7 Isomers Smiles
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
237-245℃ (dec.)
3.2 Vapour
1.50e-12 mmHg
3.3 Refractive Index
1.603
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S26;S37/39
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious 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

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:292.24264g/mol
  • Molecular Formula:
  • Exact Mass:292.090666
  • Monoisotopic Mass:292.090666
  • Complexity:316
  • Rotatable Bond Count:11
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:156
  • Heavy Atom Count:20
  • 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
8. Question & Answer
  • Physical Properties of EDTA The chemical names of ethylenediaminetetraacetic acid include Ethylenediamine tetraacetic acid, (Ethylenedinitrilo) tetraacetic acid, Edetic acid and EDTA. EDTA is white powder, which is soluble in sodium hydroxide, sodium carbonate and ammonia solution, and 160 parts of...
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