1-aminocyclopropane-1-carboxylic acid hydrochloride

• ChemBase ID: 134382
• Molecular Formular: C4H8ClNO2
• Molecular Mass: 137.56482
• Monoisotopic Mass: 137.02435618
• SMILES: C1CC1(C(=O)O)N.Cl
• Canonical SMILES: OC(=O)C1(N)CC1.Cl
• InChI: InChI=1S/C4H7NO2.ClH/c5-4(1-2-4)3(6)7;/h1-2,5H2,(H,6,7);1H
• InChIKey: WTZRHZRMLYNBRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminocyclopropane-1-carboxylic acid hydrochloride
• IUPAC Traditional name: 1-aminocyclopropane-1-carboxylic acid hydrochloride
• Synonyms: ACPC; 1-Aminocyclopropanecarboxylic acid hydrochloride; 1-Amino-1-cyclopropanecarboxylic acid hydrochloride; 1-aminocyclopropanecarboxylic acid hydrochloride; 1-氨基-1-环丙烷羧酸盐酸盐

Database IDs

• CAS Number: 68781-13-5
• MDL Number: MFCD00012545
• PubChem SID: 24278203; 162228658
• PubChem CID: 11957445

CALCULATED PROPERTIES

• Acid pKa: 2.2009416
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7160702
• LogD (pH = 7.4): -2.7203784
• Log P: -2.7160707
• Molar Refractivity: 23.2544 cm^3
• Polarizability: 9.473591 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231 °C (dec.)(lit.); 257 - 259°C; ca 220°C dec.
• Hydrophobicity(logP): -3.372

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... GRIN1(2902), GRINA(2907)

Product Information

• Purity: 95%; 97%
• Salt Data: HCl

DETAILS

Sigma Aldrich - A0430

Biochem/physiol Actions
NMDA glutamate receptor agonist acting at the glycine site