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Home> Encyclopedia >   /  Antibiotic and antimicrobial agents  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals  /  Vitamins, Amino Acids and Coenzymes
1H-Indene-1-carboxylicacid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro- structure
1H-Indene-1-carboxylicacid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro- structure

1H-Indene-1-carboxylicacid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-

Iupac Name:(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,
4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-
ene-2-carboxylic acid
CAS No.:38821-53-3
Molecular Weight:349.40476
1. Names and Identifiers
1.1 Name
1H-Indene-1-carboxylicacid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-
1.2 Synonyms

1-((((9H-Fluoren-9-yl)Methoxy)carbonyl)aMino)-2,3-dihydro-1H-indene-1-carboxylic acid 1-(FMoc-aMino)indane-1-carboxylic Acid 1H-Indene-1-carboxylicacid,1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2,3-dihydro-(9CI) Fmoc-1-aminoindane-1-carboxylic acid Fmoc-DL-1-aminoindan-1-carboxylic acid FMOC-DL-1-aminoindane-1-carboxylic acid N-FMOC-DL-1-Aminoindane-1-carboxylic acid,99% Reaxys ID: 9437116

1.3 CAS No.
38821-53-3
1.4 CID
38103
1.5 Molecular Formula
C13H10CLNO5 (isomer)
1.6 Inchi
InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1
1.7 InChkey
RDLPVSKMFDYCOR-UEKVPHQBSA-N
1.8 Canonical Smiles
CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O
1.9 Isomers Smiles
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
140-142 deg C
3.2 Refractive Index
1.684
3.3 Flash Point
237.2°C
3.4 Chemical Properties
white fine crystalline powder N-FMOC-DL-1-AMINOINDANE-1-CARBOXYLIC ACIDSupplier
3.5 StorageTemp
Store at -15°C
4. Safety and Handling
4.1 Risk Statements
R36/37/38;R42/43
4.2 Safety Statements
S26;S36
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:349.40476g/mol
  • Molecular Formula:C13H10CLNO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:349.10962727
  • Monoisotopic Mass:349.10962727
  • Complexity:697
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:138
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:3
  • 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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