Basic information
- Standard SMILES
NC1(C(=O)O)CC1- InChIKey
PAJPWUMXBYXFCZ-UHFFFAOYSA-N- Molecular formula
- C4H7NO2
- Average molar mass
- 101.1 g/mol
- Monoisotopic mass
- 101.04767847
Names & identifiers
- Preferred name
- 1-Aminocyclopropane-1-carboxylic acid
- IUPAC
- 1-aminocyclopropane-1-carboxylic acid
Names & synonyms
1-Aminocyclopropanecarboxylic acid22059-21-81-Aminocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 1-amino-alpha-Aminocyclopropane carboxylic acid1-aminocyclopropane-1-carboxylate1-Aminocyclopropane carboxylic acid3K9EJ633GLNSC-98430DTXSID9039577CHEBI:180531-azaniumylcyclopropane-1-carboxylate
Show more names
ACC acidRefChem:429423DTXCID7019577606-917-8acpc1-Amino-1-cyclopropanecarboxylic acidMFCD000099441-Amino-1-carboxycyclopropane
Database identifiers
- CAS
22059-21-8- PubChem CID
- 535
- DTXSID
DTXSID9039577- ChEMBL
CHEMBL265325- ChEBI
CHEBI:18053- UNII
- 3K9EJ633GL
- EC Number
- 606-917-8
- Nikkaji
- J83.133F
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
LogP
-2.78
-2.78
Melting Point229 - 231 °C
Physical DescriptionSolid
Dissociation Constants2.73
Collision Cross Section135.6 Ų [M-H]-
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.7%)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Cellular LocationsCytoplasm；Extracellular
Related reactions
87 records
Linked notes
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