L-Proline methyl ester hydrochloride

CAT: 0926-FP27178-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FP27178-01Size:0.1 Kg

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CAS Number

2133-40-6

Synonyms

L-Proline methyl ester monohydrochloride; Methyl L-prolinate hydrochloride; Methyl prolinate hydrochloride

MDL Number

MFCD00012708

Smiles

COC (=O) [C@@H]1CCCN1.Cl

Molecular Formula

C6H12ClNO2

Molecular Weight

165.62 g/mol

Controlled

Chemical Information

methyl L-prolinate hydrochloride

CAS Number	2133-40-6
PubChem CID	2733200
IUPAC Name	methyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
Molecular Formula	C6H12ClNO2
Molecular Weight	165.62
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	114

SMILES

COC(=O)[C@@H]1CCCN1.Cl

InChI

InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1

InChIKey

HQEIPVHJHZTMDP-JEDNCBNOSA-N

Chemical Structure

2D Structure

CAS: 2133-40-6

CID: 2733200

Formula: C6H12ClNO2

MW: 165.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.62
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.0556563
Monoisotopic Mass	165.0556563
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
287050-01	L-Proline methyl ester hydrochloride
OR919993-01	2-Methyl-l-proline methyl ester hydrochloride
239402-01	L-Proline methyl ester hydrochloride 99+% (HPLC)
239399-01	L-Proline ethyl ester hydrochloride
P24940	L-Proline benzyl ester hydrochloride
273870-01	3,4-Dehydro-L-proline methyl ester hydrochloride
014373	Trans-4-Hydroxy-L-proline Methyl Ester Hydrochloride
PC409020-01	Cis-4-Fluoro-L-Proline Methyl Ester hydrochloride
PC409019-01	Trans-4-Fluoro-L-Proline Methyl Ester hydrochloride