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Basic information
- CAS
117259-24-2- Standard SMILES
NC1(C(=O)O)CCC1- InChIKey
FVTVMQPGKVHSEY-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Overview
1-AMINOCYCLOBUTANE CARBOXYLIC ACID is a L-alpha-amino acid.
Names & identifiers
- Preferred name
- 1-Aminocyclobutanecarboxylic acid
- IUPAC
- 1-aminocyclobutane-1-carboxylic acid
- English name
- 1-Aminocyclobutanecarboxylic acid
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
1-Aminocyclobutanecarboxylic acid22264-50-21-Aminocyclobutane carboxylic acidCyclobutanecarboxylic acid, 1-amino-1K1PGC7J6ZCB 1700NSC-403363DTXSID60176811NSC-403362RefChem:429413DTXCID60993021-Aminocyclobutane-1-carboxylic acid
Show more names
AC4C-OHcb1700ACBC-OHcVal-OH1,1-ACCB1-Aminocyclobutaneca1-Amino-1-carboxycyclobutane1-amino-cyclobutanecarboxylicaci
1-Amino-cyclobutanecarboxylic acid1-Amino-1-cyclobutanecarboxylic acid22264-16-0ACBCMFCD006610681-AMINOCYCLOBUTANECARBOXLIC ACID1y1zSpectrum2_001476
Database identifiers
- CAS
117259-24-2、22264-50-2- PubChem CID
- 89643
- DTXSID
DTXSID60176811- ChEMBL
CHEMBL131244- ChEBI
Properties
Computed structural propertiesFilling in
- XLogP
- -2.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 261 °C · 261 °C (dec.)(lit.)
- Boiling point
- 241.1 · 241.1±23.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.38 · 2.38±0.20(Predicted)
- form
- Powder
- color
- White
- Water Solubility
- 100 mM · Soluble to 100 mM in water.
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)
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
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntraperitoneal LD50 (rat) > 500 mg/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- GU1336000
- hs_code
- 2922498590
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Applications
UsesACBC is an NMDA receptor antagonist acting at the glycine site. It acts as an agonist being an analog of glycine at the NMDA-glycine receptor site. This affects the signal transmission in the CNS.
Uses1-Aminocyclobutanecarboxylic acid acts as an agonist being an analog of glycine at the NMDA-glycine receptor site. This affects the signal transmission in the CNS.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
9 records
Compound notes
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