bis((1S,2R)-2-phenylcyclopropan-1-amine); sulfuric acid

• ChemBase ID: 134252
• Molecular Formular: C18H24N2O4S
• Molecular Mass: 364.45916
• Monoisotopic Mass: 364.14567826
• SMILES: c1ccc(cc1)[C@H]1C[C@@H]1N.c1ccc(cc1)[C@H]1C[C@@H]1N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.N[C@H]1C[C@@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1
• InChI: InChI=1S/2C9H11N.H2O4S/c2*10-9-6-8(9)7-4-2-1-3-5-7;1-5(2,3)4/h2*1-5,8-9H,6,10H2;(H2,1,2,3,4)/t2*8-,9+;/m11./s1
• InChIKey: BKPRVQDIOGQWTG-KAVFMPKWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis((1S,2R)-2-phenylcyclopropan-1-amine); sulfuric acid
• IUPAC Traditional name: bis((1S,2R)-2-phenylcyclopropan-1-amine); sulfuric acid
• Synonyms: trans-2-Phenylcyclopropylamine hemisulfate salt; 反苯环丙胺; 反式-2-苯基环丙胺 半硫酸盐

Database IDs

• CAS Number: 13492-01-8
• EC Number: 236-807-1
• MDL Number: MFCD00079222
• PubChem SID: 162228529
• PubChem CID: 11473982

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: GZ2625000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H331
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: 2-8°C

DETAILS

Sigma Aldrich - P1761

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