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Home> Hot Product Listed T   > Tetracosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-hepta...
109-77-3 structure

Tetracosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrien-1-yl]-2-hydroxy-,(2R)-

Iupac Name:propanedinitrile
CAS No.:109-77-3
Molecular Weight:66.063
Molecular Formula:C12H23NS (isomer)
Names and Identifiers
Synonyms

Agelasphin 10 Ophidiacerebroside E Tetracosanamide, N-[1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,[1S-[1R*(S*),2S*,3E,7E,9E]]- Tetracosanamide,N-[(1S,2R,3E,7E,9E)-1-[(b-D-glucopyranosyloxy)methyl]-2-hydroxy-8-methyl-3,7,9-heptadecatrienyl]-2-hydroxy-,(2R)- (9CI)

Inchi
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
InChkey
CUONGYYJJVDODC-UHFFFAOYSA-N
Canonical Smiles
C(C#N)C#N
Properties
Melting Point
30-34℃
Boiling Point
1462.6°C at 760 mmHg
Vapour
0.125mmHg at 25°C
Refractive Index
1.4150
Safety and Handling
Risk Statements
R23/24/25;R50/53
Safety Statements
S23;S27;S45;S60;S61
HazardClass
6.1
PackingGroup
II
Transport
UN 2647
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
MOEHS CATALANA 2013
DSM Nutritional Products GmbH 2013
Lonza Cologne GmbH 2012
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P311 Call a POISON CENTER/doctor/\u2026

P391 Collect spillage.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:66.063g/mol
  • Molecular Formula:C12H23NS
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.5
  • Exact Mass:66.022
  • Monoisotopic Mass:66.022
  • Complexity:82.6
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:47.6A^2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcQBDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAACACBAAAAAAAAAAAQ BAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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