Basic information
- CAS
4854-46-0- Standard SMILES
CC(=O)NC1(C(=O)O)CCCC1- InChIKey
WMLJYVSRHSZWQY-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
- Monoisotopic mass
- 171.08954328
Overview
1-Acetamidocyclopentanecarboxylic acid is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 1-Acetamidocyclopentane-1-carboxylic acid
- IUPAC
- 1-acetamidocyclopentane-1-carboxylic acid
- English name
- 1-acetamidocyclopentane-1-carboxylic acid
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
1-acetamidocyclopentane-1-carboxylic acidRefChem:428943894-960-54854-46-01-Acetamidocyclopentanecarboxylic acidMLS000738007MFCD017353221-(acetylamino)cyclopentanecarboxylic acidCyclopentanecarboxylicacid, 1-(acetylamino)-SCHEMBL1573844CHEMBL1416412NIOSH/GY2610000
Show more names
WMLJYVSRHSZWQY-UHFFFAOYSA-N1-acetylamino-cyclopentanecarboxylic acidCyclopentanecarboxylic acid, 1-(acetylamino)-
DTXSID20281738CHEBI:195588HMS2753O23EAA85446NSC228471-AcetamidocyclopentanecarboxylicacidNSC-22847AKOS005362740
Database identifiers
- CAS
4854-46-0- PubChem CID
- 229296
- DTXSID
DTXSID20281738- ChEMBL
CHEMBL1416412- ChEBI
CHEBI:195588- EC Number
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 413.8 · 413.8±24.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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