(cyclopropylmethyl)(propyl)amine

• ChemBase ID: 145679
• Molecular Formular: C7H15N
• Molecular Mass: 113.2007
• Monoisotopic Mass: 113.12044949
• SMILES: CCCNCC1CC1
• Canonical SMILES: CCCNCC1CC1
• InChI: InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3
• InChIKey: MAVLRJDQJZJTQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)(propyl)amine
• IUPAC Traditional name: (cyclopropylmethyl)(propyl)amine
• Synonyms: N-Propylcyclopropanemethylamine; N-丙基环丙甲胺

Database IDs

• CAS Number: 26389-60-6
• EC Number: 247-646-1
• MDL Number: MFCD00001308
• PubChem SID: 24859671; 162239883
• PubChem CID: 117787

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7710737
• LogD (pH = 7.4): -1.5395477
• Log P: 1.4670291
• Molar Refractivity: 35.908 cm^3
• Polarizability: 14.445701 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 31 °C; 87.8 °F
• Density: 0.792 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.43(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 3

Product Information

• Purity: 95%
• Linear Formula: C3H5CH2NHCH2CH2CH3

DETAILS

Sigma Aldrich - 327573

Packaging
25, 100 g in glass bottle