N-Methyl-L-proline

HCID 643474

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Grundinformationen

CAS: 475-11-6
Standard-SMILES: CN1CCC[C@H]1C(=O)O
InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N
Summenformel: C6H11NO2
Durchschnittliche Molmasse: 129,16 g/mol
Monoisotopische Masse: 129,07897859

Überblick

N-methylproline is an L-proline derivative obtained by replacement of the amino hydrogen by a methyl group. It has a role as a plant metabolite and a human metabolite. It is a tertiary amino compound and a L-proline derivative. It is a tautomer of a N-methylproline zwitterion.

Namen und Bezeichner

Bevorzugter Name: N-Methyl-L-proline
IUPAC: (2S)-1-methylpyrrolidine-2-carboxylic acid
Englischer Name: N-Methyl-L-proline
Summenformel: C6H11NO2
Molmasse: 129.16

Namen und Synonyme

N-Methyl-L-proline475-11-6N-methylprolineCHEBI:90344DTXSID30349191RefChem:830531DTXCID90300263N-Methylpyrrolidine-2-carboxylic acidh-n-me-pro-ohHYGRIC ACID(2S)-1-methylpyrrolidine-2-carboxylic acid1-methyl-L-proline

Weitere Namen anzeigen

N-Me-ProN-ME-PROLINEHygrinic acidN-Me-L-Pro-OHPYRD(2)-OH H2O

N-Me-Pro-OHL-Proline, 1-methyl-(S)-1-methylpyrrolidine-2-carboxylic acidMFCD00011565methyl-l-prolineN-methyl proline(S)-1-Methyl-pyrrolidine-2-carboxylic acid(S)-methylproline

Datenbank-Bezeichner

CAS: 475-11-6
PubChem CID: 643474
DTXSID: DTXSID30349191
ChEBI: CHEBI:90344
EC Number: 849-164-2
Nikkaji: J5.969B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,9
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Schmelzpunkt: 114 · 114-116 °C(lit.)
Siedepunkt: 227 ℃ · 227℃
Dichte: 1.153 · 1.153
Flammpunkt: 91.1 ℃ · 91.1℃
Brechungsindex: 1.5 · 1.5000
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 2.37 · 2.37±0.20(Predicted)
Aggregatzustand: Powder
Farbe: White to off-white
Wasserlöslichkeit: Soluble in water and methanol(both 50 mg/ml-clear-colorless solution)
InChI: InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChIKey: CWLQUGTUXBXTLF-YFKPBYRVSA-N
SMILES: C(O)(=O)[C@@H]1CCCN1C
CAS Datenbank: 475 · 475-11-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

wgk: 3
hazard_class: IRRITANT
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsPlacenta

Anwendungen

VerwendenN-Methyl-L-proline, is an aminoacid which is widely used in pharmaceuticals and food industry.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter100 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: N-methylproline is an L-proline derivative obtained by replacement of the amino hydrogen by a methyl group. It has a role as a plant metabolite and a human metabolite. It is a L-proline derivative and a tertiary amino compound. It is a tautomer of a N-methylproline zwitterion.