Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Fungicide  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Other Inorganic Chemicals
L-Glutamine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester structure
L-Glutamine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester structure

L-Glutamine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester

Iupac Name:(4S,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
CAS No.:79-57-2
Molecular Weight:460.43396
1. Names and Identifiers
1.1 Name
L-Glutamine, N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester
1.2 CAS No.
79-57-2
1.3 CID
54675779
1.4 Molecular Formula
C29H24N2O5 (isomer)
1.5 Inchi
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
1.6 InChkey
OWFJMIVZYSDULZ-PXOLEDIWSA-N
1.7 Canonical Smiles
CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
1.8 Isomers Smiles
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
2. Properties
3.1 Melting point
183℃
3.1 Refractive index
1.749
3.1 Vapour pressure
9.7X10-25 mm Hg at 25 °C (est)
3.1 Precise Quality
460.14800
3.1 PSA
201.85000
3.1 logP
-0.54330
3. Safety and Handling
4.1 Risk Statements
R36;R63
4.1 Safety Statements
S26;S36/37/39
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
2
4.1 RTECS
QI7875000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled

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.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

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

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

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

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:460.43396g/mol
  • Molecular Formula:C29H24N2O5
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:460.14818035
  • Monoisotopic Mass:460.14818035
  • Complexity:1000
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:7
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:202
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:6
  • 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. Recommended Suppliers
Global207SuppliersView all >>
  • Products:5413-05-8 Ethyl 2-phenylacetoacetate; 16648-44-5 BMK powder; 13605-48-6 Pmk glycidate; 79099-07-3 N-BOC-4-piperidone; 49851-31-2 2-bromo-1-phenylpentan-1-one; 288573-56-8
  • Tel:86-27-86832068
  • Email:sprite@hanhong-api.com
Oxytetracycline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Oxytetracycline CAS No.: 79-57-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/05/20
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Wholesale factory low price Oxytetracycline Cas 79-57-2 with specialized manufacture
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 85 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Oxytetracycline Pharma Raw Materials Yellow Powder Terramycin For Anti Bacterial Cas No 79-57-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/05/19
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-88888888
  • Email:lisa@zhanyaobio.com
Oxytetracycline
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 200 RMB/kilogram
  • Time: 2022/05/19
Inquire