(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride

• ChemBase ID: 152209
• Molecular Formular: C10H20ClN
• Molecular Mass: 189.7255
• Monoisotopic Mass: 189.12842733
• SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@H]2N.Cl
• Canonical SMILES: N[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C.Cl
• InChI: InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H/t7-,8-,10+;/m1./s1
• InChIKey: XVVITZVHMWAHIG-NDYRHZEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• IUPAC Traditional name: (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride
• Synonyms: exo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine hydrochloride; (R)-(-)-Isobornylamine hydrochloride; 外型-(1R)-1,7,7-三甲基二环[2.2.1]庚-2-胺 盐酸盐; (R)-(-)-异冰片胺 盐酸盐

Database IDs

• CAS Number: 24629-78-5
• EC Number: 246-373-5
• MDL Number: MFCD00066428
• Beilstein Number: 4196859
• PubChem SID: 24881082; 162246354
• PubChem CID: 198024

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.140725
• LogD (pH = 7.4): -0.70140266
• Log P: 1.8825761
• Molar Refractivity: 46.9718 cm^3
• Polarizability: 19.244478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C
• Optical Rotation: [α]20/D -48±3°, c = 5% in ethanol

Safety Information

• RTECS: ED6183800
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥97.0% (AT)
• Empirical Formula (Hill Notation): C10H19N · HCl

DETAILS

Sigma Aldrich - 58335

Packaging
100 mg in glass bottle