1-Methylpyrrolidine-2-carboxylic acid

HCID 557CAS 68078-09-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCCC1C(=O)O
InChIKey
CWLQUGTUXBXTLF-UHFFFAOYSA-N
Molecular formula
C6H11NO2
Average molar mass
129.16 g/mol
Monoisotopic mass
129.07897859

Overview

N-methylproline has been reported in Citrus with data available.

Names & identifiers

Preferred name
1-Methylpyrrolidine-2-carboxylic acid
IUPAC
1-methylpyrrolidine-2-carboxylic acid
English name
1-Methylpyrrolidine-2-carboxylic acid
Molecular formula
C6H11NO2
Molecular weight
129.16

Names & synonyms

1-methylpyrrolidine-2-carboxylic acid68078-09-11-Methylproline1-Methyl-pyrrolidine-2-carboxylic acid1-Methyl-DL-prolinemethylprolineproline, 1-methyl-MFCD016055831-Methylproline #n-methyl-(l)-prolineN-methyl-D,L-prolineN-DL-Me-Pro-OH
Show more names
N-methyl DL-prolineDL-Proline, 1-methyl-1-methylproline(SALTDATA: HCl)
n-alpha-methyl-l-prolineSCHEMBL145545SCHEMBL1361963SCHEMBL26599652DTXSID10274275ALBB-016470CS-B1576NSC45492

Database identifiers

CAS
68078-09-1
PubChem CID
557
DTXSID
DTXSID10274275
EC Number
836-213-8
Nikkaji
J923.108K

Properties

Computed structural properties

XLogP
-1.9
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
116 °C · 116 °C
Boiling point
227.1 · 227.1±33.0 °C(Predicted)
Density
1.153 · 1.153±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
2.37 · 2.37±0.20(Predicted)
Appearance
White to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

19 records
New reaction record

Linked notes

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