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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceutical  /  Laboratory Chemicals  /  Anesthetic Agents
Melamine-formaldehyde-alkylmonoalcohol(C=1-12) condensate structure
Melamine-formaldehyde-alkylmonoalcohol(C=1-12) condensate structure

Melamine-formaldehyde-alkylmonoalcohol(C=1-12) condensate

Iupac Name:2-(dimethylamino)ethyl 4-(butylamino)benzoate
CAS No.:94-24-6
Molecular Weight:264.369
1. Names and Identifiers
1.1 Name
Melamine-formaldehyde-alkylmonoalcohol(C=1-12) condensate
1.2 CAS No.
94-24-6
1.3 CID
5411
1.4 Molecular Formula
C8H6ClNO2 (isomer)
1.5 Inchi
InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
1.6 InChkey
GKCBAIGFKIBETG-UHFFFAOYSA-N
1.7 Canonical Smiles
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
1.8 Isomers Smiles
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
2. Properties
3.1 Density
1.369±0.06 g/cm3(Predicted)
3.1 Melting point
41.0 to 45.0 deg-C
3.1 Refractive index
1.537
3.1 Precise Quality
264.18400
3.1 PSA
41.57000
3.1 logP
2.69000
3. Safety and Handling
4.1 Symbol
GHS06, GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
R22;R40;R42/43
4.1 Safety Statements
S22;S36/37
4.1 Packing Group
III
4.1 Hazard Class
6.1
4.1 Hazard Declaration
H301-H317-H351
4.1 RIDADR
UN 2811
4.1 Caution Statement
P280-P301 + P310
4.1 WGK Germany
3
4.1 RTECS
DG4725000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H317 May cause an allergic skin reaction

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:264.369g/mol
  • Molecular Formula:C8H6ClNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:264.183778013
  • Monoisotopic Mass:264.183778013
  • Complexity:249
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:41.6
  • Heavy Atom Count:19
  • 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
6. Question & Answer
  • Tetracaine is a benzoate ester with anesthetic properties. Upon administration, tetracaine reversibly binds voltage-gated sodium ion channels in neuronal cell membranes and inhibits sodium influx. This prevents the initiation and conduction of nerve impulses, and stabilizes neuronal membranes. This...
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