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Home> Encyclopedia > Hot Product Listed L   > Leonurine
24697-74-3 structure

Leonurine

Iupac Name:4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate
CAS No.:24697-74-3
EINECS(EC#): 683-174-6
Molecular Weight:311.33364
Molecular Formula:C14H21N3O5 (isomer)
Names and Identifiers
Synonyms

[4-(4-Hydroxy-3,5-dimethoxybenzoyloxy)butyl]guanidine 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxy-benzoate hydrochloride 4-Guanidino-1-butanol syringate 4-Hydroxy-3,5-dimethoxybenzoic acid d-guanidinobutyl ester Benzoicacid, 4-hydroxy-3,5-dimethoxy-, ester with (4-hydroxybutyl)guanidine (8CI) Guanidine, (4-hydroxybutyl)-, 4-hydroxy-3,5-dimethoxybenzoate (ester)(8CI) Guanidine, (4-hydroxybutyl)-, 4-hydroxy-3,5-dimethoxybenzoate(8CI) Leonurin Leonurine Leonurine (7CI) Leonurine 4-Guanidino-1-butanol syringate leonurine hydrochloride SCM-198 Syringic acid d-guanidinobutylester

Inchi
InChI=1/C14H21N3O5.ClH.H2O/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16;;/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17);1H;1H2
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N
Properties
Appearance
White crystalline powder
Density
1.29
Melting Point
191-193oC
Boiling Point
531.6°Cat760mmHg
Flash Point
275.3°C
HS Code
29399990
Safety and Handling
Hazard Codes
Xi
Risk Statements
36/37/38
Safety Statements
26-24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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.

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

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

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:311.33364g/mol
  • Molecular Formula:C14H21N3O5
  • XLogP3-AA:0.5
  • Exact Mass:311.148121
  • Monoisotopic Mass:311.148121
  • Complexity:360
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:129
  • Heavy Atom Count:22
  • 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
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Recommended Suppliers
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  • Fax:0086-27-59524646
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  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-28-85249238
  • Fax:86-28-85377358
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
 
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