(1R)-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 141001
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: c1ccc2c(c1)CCC[C@H]2N
• Canonical SMILES: N[C@@H]1CCCc2c1cccc2
• InChI: InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2/t10-/m1/s1
• InChIKey: JRZGPXSSNPTNMA-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: (1R)-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (R)-1-Amino-1,2,3,4-tetrahydronaphthalene; (R)-(-)-1-AminoTetralin®; (R)-(-)-1-Aminotetraline; (R)-1,2,3,4-Tetrahydro-1-naphthylamine; (R)-(-)-1,2,3,4-Tetrahydro-1-naphthylamine; (R)-(-)-1,2,3,4-TETRAHYDRO-1-NAPHTHYLAMINE; (R)-(-)-1-氨基四氢化萘; (R)-1,2,3,4-四氢-1-萘胺; (R)-(-)-1,2,3,4-四氢-1-萘胺

Database IDs

• CAS Number: 23357-46-2
• EC Number: 000-000-0
• MDL Number: MFCD00671629
• Beilstein Number: 4231302
• PubChem SID: 24885003; 162235237
• PubChem CID: 7058072

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92047
• LogD (pH = 7.4): -0.19281884
• Log P: 2.0878072
• Molar Refractivity: 46.7132 cm^3
• Polarizability: 18.460941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120 °C/10 mbar; 118-120°C/8mm
• Flash Point: >110 °C; >110°C(230°F); >230 °F
• Density: 1.002 g/mL at 25 °C; 1.035
• Refractive Index: 1.5645; n20/D 1.565

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-36/37/38-51/53; 36/37/38
• Safety Statements: 26-37; 26-61
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H411; H315-H319-H335
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: ≥98.5% (GC); 97%; 98%; ChiPros® 99+%, ee 98+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Linear Formula: (C10H11)NH2

DETAILS

Sigma Aldrich - 668818

Packaging
5, 25 g in glass bottle
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 726532

Packaging
25, 100 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC