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

• ChemBase ID: 150049
• Molecular Formular: C7H14ClN
• Molecular Mass: 147.64576
• Monoisotopic Mass: 147.08147713
• SMILES: C1C[C@H]2C[C@@H]1CC2N.Cl
• Canonical SMILES: NC1C[C@H]2C[C@@H]1CC2.Cl
• InChI: InChI=1S/C7H13N.ClH/c8-7-4-5-1-2-6(7)3-5;/h5-7H,1-4,8H2;1H/t5-,6+,7?;/m1./s1
• InChIKey: IZZMPZQAQTXAHW-ZJVNHHPWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,4R)-bicyclo[2.2.1]heptan-2-amine hydrochloride
• IUPAC Traditional name: (1S,4R)-bicyclo[2.2.1]heptan-2-amine hydrochloride
• Synonyms: (±)-endo-Bicyclo[2.2.1]hept-2-ylamine hydrochloride; 2-Aminonorbornane hydrochloride; (±)-endo-2-Norbornylamine hydrochloride; 2-Norbornanamine hydrochloride; 2-Aminonorbornane hydrochloride; (±)-内型-二环[2.2.1]庚-2-基胺 盐酸盐; 2-氨基降冰片烷 盐酸盐; (±)-内型-2-降冰片基胺 盐酸盐; 2-Norbornanamine 盐酸盐; 2-氨基降冰片烷 盐酸盐

Database IDs

• CAS Number: 14370-45-7
• MDL Number: MFCD00167586
• Beilstein Number: 3908982
• PubChem SID: 162244211; 24848113
• PubChem CID: 53485818

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

• Melting Point: ~295 °C (dec.); 295 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (NT); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C7H13N · HCl

DETAILS

Sigma Aldrich - 133515

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 74515

General description
predominantly "endo"