Methyl DL-prolinate

HCID 94239CAS 2133-40-6
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1CCCN1
InChIKey
BLWYXBNNBYXPPL-UHFFFAOYSA-N
Molecular formula
C6H11NO2
Average molar mass
129.16 g/mol
Monoisotopic mass
129.07897859

Names & identifiers

Preferred name
Methyl DL-prolinate
IUPAC
methyl pyrrolidine-2-carboxylate
English name
PYRROLIDINE-2-CARBOXYLIC ACID METHYL ESTER
Molecular formula
C6H11NO2
Molecular weight
129.16

Names & synonyms

methyl pyrrolidine-2-carboxylate52183-82-1Methyl DL-prolinateproline, methyl esterPyrrolidine-2-carboxylic acid methyl ester2BQC0016L7EINECS 257-714-22-(carbomethoxy)pyrrolidineMETHYL PROLINE, (RS)-2-(methyloxycarbonyl)pyrrolidineDL-PROLINE, METHYL ESTERRefChem:817732
Show more names
Methyl pyrrolidine-2-carboxylate HCL(±)-Proline methyl(-)-2-carboMethoxypyrrolidine(R,S)-Pyrrolidine-2-carboxylicacidmethylester
METHYL PROLINE, (+-)-257-714-2MFCD05864595methylpyrrolidine-2-carboxylateNSC617316UNII-2BQC0016L7methylDL-prolinateDL-Proline methyl

Database identifiers

CAS
2133-40-6、52183-82-1
PubChem CID
94239
DTXSID
DTXSID60943883
ChEMBL
CHEMBL75695
UNII
2BQC0016L7
EC Number
257-714-2
Nikkaji
J306.158B

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Boiling point
169.9 · 169.9±33.0 °C(Predicted)
Density
1.055 · 1.055±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form
liquid
pka
8.23 · 8.23±0.10(Predicted)
InChI
1S/C6H11NO2/c1-9-6(8)5-3-2-4-7-5/h5,7H,2-4H2,1H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
WGK 3
risk_code
22-41-51
Signal word
Danger
Symbol(GHS)
GHS07,GHS05
hazard_code
Xn
safety_code
26-39

Chemistry & industry

Applications

UsesMethyl Pyrrolidine-2-carboxylate,

Suppliers34 total

烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]

Related reactions

82 records
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Linked notes

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