CAS 287100-58-7|Phenethyl-2-13C-amine|苯乙胺-2-13C|2-phenyl(2-13C)ethanamine|2-phenyl(2-13C)ethan-1-amine

Molecular Formula

C₈H₁₁N

Molecular Mass

122.17229484

Exact Mass

122.0925042

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/i6+1

InChIKey

BHHGXPLMPWCGHP-PTQBSOBMSA-N

Canonic Smiles

NC[13CH2]c1ccccc1

Isomeric Smiles

c1ccc(cc1)[13CH2]CN

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.6221586

LogD (pH = 7.4)

-0.9164991

Log P

1.3876754

Molar Refractivity

39.2864

Polarizability

15.517892

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Phenethyl-2-13C-amine苯乙胺-2-13C

IUPAC Traditional name

2-phenyl(2-¹³C)ethanamine

IUPAC name

2-phenyl(2-¹³C)ethan-1-amine

CAS Number

MDL Number

PubChem CID

PubChem SID

GHS Signal Word

Danger

RID/ADR

UN 2922 8/PG 2

European Hazard Symbols

Corrosive (C)

Risk Statements

22-35-52

UN Number

2922

Safety Statements

26-36/37/39-45

Hazard Class

Packing Group

GHS Precautionary statements

P280-P305+P351+P338-P310

MSDS Link

Download link

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

GHS Hazard statements

H302-H314

German water hazard class

Physical Property

Product Information

Linear Formula

C6H513CH2CH2NH2

Mol. Weight

mol wt 122.17 by atom % calculation

Isotopic Purity

99 atom % 13C

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Sigma Aldrich

592072

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.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

Phenethyl-2-13C-amine苯乙胺-2-13C

IUPAC Traditional name

2-phenyl(2-¹³C)ethanamine

IUPAC name

2-phenyl(2-¹³C)ethan-1-amine

CAS Number

MDL Number

PubChem CID

PubChem SID

592072

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.

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

Linear Formula

C6H513CH2CH2NH2

Mol. Weight

mol wt 122.17 by atom % calculation

Isotopic Purity

99 atom % 13C

Molecule

ID:134739