(2H7)naphthalen-1-amine

• ChemBase ID: 134558
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: c1ccc2c(c1)cccc2N
• Canonical SMILES: Nc1cccc2c1cccc2
• InChI: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2
• InChIKey: RUFPHBVGCFYCNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇)naphthalen-1-amine
• IUPAC Traditional name: (^2H₇)naphthalen-1-amine
• Synonyms: 1-Aminonaphthalene-d7; 1-氨基萘-d7

Database IDs

• CAS Number: 78832-53-8
• EC Number: 205-138-7
• MDL Number: MFCD03428269
• PubChem SID: 162228834
• PubChem CID: 71308815

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1157632
• LogD (pH = 7.4): 2.1335647
• Log P: 2.1337967
• Molar Refractivity: 47.2086 cm^3
• Polarizability: 19.164398 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48-50 °C(lit.)
• Boiling Point: 301 °C(lit.)
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2077
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-51/53
• Safety Statements: 24-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H411
• GHS Precautionary statements: P273
• RID/ADR: UN 2077 6.1/PG 3

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 150.09 by atom % calculation
• Empirical Formula (Hill Notation): C10D7H2N

DETAILS

Sigma Aldrich - 577839

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.