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Home> Encyclopedia > Hot Product Listed 2   > 2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,4S)-
5521-55-1 structure

2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R,4S)-

Iupac Name:5-methylpyrazine-2-carboxylic acid
CAS No.:5521-55-1
Molecular Weight:138.126
Molecular Formula:C17H20N2O4 (isomer)
Names and Identifiers
Synonyms

(+)-(1R,4S)-N-BOC-4-AMINOCYCLOPENT-2-ENE-4-CARBOXYLIC ACID (+)-(1R,4S)-N-BOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID (+)-(1R,4S)-N-BOC-GAMMA-HOMOCYCLOLEU-2-ENE (+)-(1R,4S)-N-T-BUTOXYCARBONYL-1-AMINOCYCLOPENT-2-ENE-4-CARBOXYLIC ACID (+)-(1S,4R)-N-BOC-1-AMINOCYCLOPENT-2-ENE-4-CARBOXYLIC ACID (1R,4S)-(-)-4-(TERT-BUTOXYCARBONYL)AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID (1R,4S)-(-)-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID, N-BOC PROTECTED (1R,4S)-(+)-4-(BOC-AMINO)-2-CYCLOPENTENE-1-CARBOXYLIC ACID (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid 2-Cyclopentene-1-carboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1R-cis)- BOC-L-ACPEC

Inchi
InChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
InChkey
RBYJWCRKFLGNDB-UHFFFAOYSA-N
Canonical Smiles
CC1=NC=C(N=C1)C(=O)O
Properties
Appearance
off-white crystalline powder
Density
1.19
Melting Point
166-169℃
Boiling Point
277.9 °C at 760 mmHg
Flash Point
192.1°C
HS Code
29339990
Safety and Handling
Risk Statements
R41
Safety Statements
S26;S39
Hazard Note
H318
Transport
OTH
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:138.126g/mol
  • Molecular Formula:C17H20N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:138.043
  • Monoisotopic Mass:138.043
  • Complexity:138
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:63.1A^2
  • Heavy Atom Count:10
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAACAjBlgQuiBIIEgCo ART3TAQAgCQXEiAAUAG4eEACREhAASAUQIACAADQEMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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  • Tel:86-571-88938639
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