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Home> Hot Product Listed D   > D-Proline,1,1-dimethylethyl ester, hydrochloride (1:1)
57837-19-1 structure

D-Proline,1,1-dimethylethyl ester, hydrochloride (1:1)

Iupac Name:methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CAS No.:57837-19-1
Molecular Weight:279.33
Molecular Formula:C8H13NO5 (isomer)
Names and Identifiers
Synonyms

(R)-Proline tert-butyl esterhydrochloride (r)-tert-butyl pyrrolidine-2-carboxylate hcl (r)-tert-butyl pyrrolidine-2-carboxylate hydrochloride 7118AH A7288 AK151178 AKOS015847182 ANW-23209 AX8288002 CS-W020730 CTK8B1058 d-proline t-butyl ester hydrochloride d-proline t-butyl ester hydrochloride (h-d-pro-otbu.hcl) d-proline tert-butyl ester hydrochloride D-Proline tert-butylester hydrochloride d-proline, 1,1-dimethylethyl ester, hydrochloride d-proline, 1,1-dimethylethyl ester, hydrochloride (1:1) D-Proline,1,1-dimethylethyl ester, hydrochloride (9CI) DS-9422 DTXSID00659799 en300-175765 h-d-pro-otbu hcl h-d-pro-otbu.hcl IUUYANMOEMBTBV-OGFXRTJISA-N K-5583 KS-00000SAD mfcd00153460 MOLPORT-016-580-263 P1728 RTR-008525 SCHEMBL596114 ST2402694 tert-butyl (2r)-pyrrolidine-2-carboxylate hydrochloride tert-butyl d-prolinate--hydrogen chloride (1/1)

Inchi
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
InChkey
ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
Properties
Melting Point
72-73°C
Refractive Index
1.5130 (estimate)
Safety and Handling
Risk Statements
22-43-52/53-36-20/21/22-11
Safety Statements
13-24-37-46-61-36-26-16
Transport
UN 1648 3/PG 2
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H412 Harmful 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.

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.

P273 Avoid release to the environment.

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/...

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

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

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

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:279.33g/mol
  • Molecular Formula:C8H13NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.6
  • Exact Mass:279.147
  • Monoisotopic Mass:279.147
  • Complexity:335
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:55.8A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADCjhmAYyyIMABACI AiXSWAKCAAAhAAAIiAHIRIgKICLAkbWFIAhghgDYyAcQgEAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-111111
  • Fax:86-27-111111
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
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