cyclopropylmethanamine

• ChemBase ID: 34351
• Molecular Formular: C4H9N
• Molecular Mass: 71.12096
• Monoisotopic Mass: 71.07349929
• SMILES: C1CC1CN
• Canonical SMILES: NCC1CC1
• InChI: InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
• InChIKey: IGSKHXTUVXSOMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylmethanamine
• IUPAC Traditional name: cyclopropylmethanamine
• Synonyms: 1-Cyclopropylmethanamine; Cyclopropanemethanamine; (Cyclopropylmethyl)amine; 1-Cyclopropylmethanamine; Aminomethylcyclopropane; C-Cyclopropylmethylamine; N-(Cyclopropylmethyl)amine; Cyclopropylmethylamine; Cyclopropylmethylamine; (Aminomethyl)cyclopropane 97%; (Aminomethyl)cyclopropane; Cyclopropanemethylamine; cyclopropylmethanamine; 环丙烷甲胺; 氨甲基环丙烷; 环丙基甲胺

Database IDs

• CAS Number: 2516-47-4
• EC Number: 219-737-6
• MDL Number: MFCD00037147
• Beilstein Number: 773674
• PubChem SID: 160997658; 24846187
• PubChem CID: 75646

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.869171
• LogD (pH = 7.4): -2.4582562
• Log P: 0.1551184
• Molar Refractivity: 21.8608 cm^3
• Polarizability: 8.905697 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 83-86 °C(lit.); 84-85 °C; 84-85°C; 85-86°C
• Flash Point: 2 °C; 2°C; 2°C(36°F); 35.6 °F
• Density: 0.82; 0.820; 0.83 g/mL at 20 °C(lit.)
• Refractive Index: 1.4330; 1.434; n20/D 1.433(lit.)
• Hydrophobicity(logP): 0.309

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Air Sensitive/Store under Argon; IRRITANT, FLAMMABLE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: ≥96.0% (GC); 95%; 95+%; 97%; 98%; 98+%
• Grade: purum
• Empirical Formula (Hill Notation): C4H9N

DETAILS

Toronto Research Chemicals - C988695

A cyclic compound with structural analogy to glycine used in studies of potential inhibitors of glycine cleavage system of brain and liver mitochondria.

REFERENCES

• Benavides, J. et al.: Biochem. Pharmacol., 32, 287 (1983)