(1R,2S)-2-phenylcyclopropan-1-amine hydrochloride

• ChemBase ID: 146846
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: c1ccc(cc1)[C@@H]1C[C@H]1N.Cl
• Canonical SMILES: N[C@@H]1C[C@H]1c1ccccc1.Cl
• InChI: InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m0./s1
• InChIKey: ZPEFMSTTZXJOTM-OULXEKPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-phenylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: tranylcypromine hydrochloride
• Synonyms: Tranylcypromine; trans-2-Phenylcyclopropylamine hydrochloride; trans-Tranylcypromine Hydrochloride; trans 2-Amino-1-phenyl-cyclopropane Hydrochloride; rac trans-2-Phenylcyclopropylamine Hydrochloride; 反苯环丙胺; 反式-2-苯基环丙胺 盐酸盐

Database IDs

• CAS Number: 1986-47-6
• MDL Number: MFCD00063602
• PubChem SID: 24278187; 162241038; 24898296
• PubChem CID: 2723716

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6602782
• LogD (pH = 7.4): -0.82371813
• Log P: 1.3388824
• Molar Refractivity: 41.6966 cm^3
• Polarizability: 16.617031 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Beige Solid
• Melting Point: 149-153°C; 162-169 °C(lit.)
• Optical Rotation: [α]/D -1 to +1.0°, c = 1 in H2O

Safety Information

• Storage Condition: Refrigerator
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-52
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... MAOA(4128), MAOB(4129)

Product Information

• Purity: 97%
• Linear Formula: C6H5C3H4NH2·HCl

DETAILS

Sigma Aldrich - P8511

Biochem/physiol Actions
Non-selective MAO-A/B inhibitor.

Sigma Aldrich - P22370

Biochem/physiol Actions
Non-selective MAO-A/B inhibitor.
Packaging
1, 2.5 g in glass bottle

Toronto Research Chemicals - P319680

Non-selective MAO-A/B inhibitor.

REFERENCES

• Stout, S.C., et al.: J. Pharmacol. Exp. Ther., 300, 1085 (2002)