(1R,2R,4S)-bicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 147360
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: C1C[C@@H]2C[C@H]1C[C@H]2N
• Canonical SMILES: N[C@@H]1C[C@@H]2C[C@H]1CC2
• InChI: InChI=1S/C7H13N/c8-7-4-5-1-2-6(7)3-5/h5-7H,1-4,8H2/t5-,6+,7+/m0/s1
• InChIKey: JEPPYVOSGKWVSJ-RRKCRQDMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4S)-bicyclo[2.2.1]heptan-2-amine
• IUPAC Traditional name: (1R,2R,4S)-bicyclo[2.2.1]heptan-2-amine
• Synonyms: exo-2-Norbornanamine; exo-2-Aminonorbornane; 外-2-氨基降冰片烷

Database IDs

• CAS Number: 7242-92-4
• EC Number: 230-647-6
• MDL Number: MFCD00078132
• PubChem SID: 24850821; 162241549
• PubChem CID: 10240785

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1107802
• LogD (pH = 7.4): -1.8397852
• Log P: 0.917509
• Molar Refractivity: 33.55 cm^3
• Polarizability: 13.705201 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 49 °C/10 mmHg(lit.)
• Flash Point: 35 °C; 95 °F
• Density: 0.938 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4807(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: 99%
• Empirical Formula (Hill Notation): C7H13N

DETAILS

Sigma Aldrich - 179604

Packaging
1 g in glass bottle