(1S,4R)-4-aminocyclopent-2-enecarboxylic acid hydrochloride

HCID 44828817

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Basic information

CAS: 130931-84-9
Standard SMILES: Cl.N[C@H]1C=C[C@@H](C(=O)O)C1
InChIKey: JYDJHYGBXSCMJL-JBUOLDKXSA-N
Molecular formula: C6H10ClNO2
Average molar mass: 163.6 g/mol
Monoisotopic mass: 163.04000624

Names & identifiers

Preferred name: (1S,4R)-4-aminocyclopent-2-enecarboxylic acid hydrochloride
IUPAC: (1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride
English name: (1S,4R)-4-AMinocyclopent-2-enecarboxylic acid hydrochloride
Molecular formula: C6H9NO2.ClH
Molecular weight: 163.6

Names & synonyms

130931-84-9(1S,4R)-4-aminocyclopent-2-enecarboxylic acid hydrochlorideMFCD11504996(1S,4R)-4-AMINOCYCLOPENT-2-ENE-1-CARBOXYLIC ACID HYDROCHLORIDE61865-62-1Peramivir Impurity 28(1S,4R)-4-aminocyclopent-2-ene-1-carboxylic acid;hydrochloride2-Cyclopentene-1-carboxylic acid, 4-amino-, hydrochloride (1:1), (1S,4R)-74201-87-9134234-04-1(free base)(1S,4R)-4-aminocyclopent-2-enecarboxylic acid-HCl(1S,4R)-4-Amino-2-cyclopentene-1-carboxylic acid hydrochloride (1 :1)

Show more names

Pyridine,2,3,6-trichloro-10-nitro-Methanone,[7-(hydroxymethyl)phenyl]phenyl--4-Aminocyclopent-2-enecarboxylic acid hydrochloride(-)-(1S,4R)-4-Aminocyclopent-2-enecarboxylic acid hydrochloride2-Cyclopentene-1-carboxylicacid,4-amino-,(1S,4R)-,hydrochloride(1:1)

JYDJHYGBXSCMJL-JBUOLDKXSA-NPeramivir Impurity 40 HClSCHEMBL4349129DTXSID80660909AKOS015849510AKOS015915577s11070DS-15718

Database identifiers

CAS: 130931-84-9
PubChem CID: 44828817
DTXSID: DTXSID80660909
EC Number: 185-589-3

Properties

Computed structural properties

Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 153

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1/C6H9NO2.ClH/c7-5-2-1-4(3-5)6(8)9;/h1-2,4-5H,3,7H2,(H,8,9);1H/t4-,5+;/s3
InChIKey: JYDJHYGBXSCMJL-SRJSDOSHNA-N
SMILES: [C@H]1(C(O)=O)C[C@@H](N)C=C1.[H]Cl |&1:0,5,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.