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L-Hydroxyproline methyl ester hydrochloride

CAT: 0286-H17190-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-H17190-02Size:5 g
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CAS Number
40216-83-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00080855
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

4-Hydroxy-L-proline methyl ester hydrochloride

See also: L-4-hydroxy-methylprolinate chlorhydrate (annotation moved to).

CAS Number40216-83-9
PubChem CID11435319
IUPAC Namemethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
Molecular FormulaC6H12ClNO3
Molecular Weight181.62
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity137
SMILES
COC(=O)[C@@H]1C[C@H](CN1)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKey
KLGSHNXEUZOKHH-JBUOLDKXSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-L-proline methyl ester hydrochloride
CAS: 40216-83-9
CID: 11435319
Formula: C6H12ClNO3
MW: 181.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.62
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass181.0505709
Monoisotopic Mass181.0505709
Topological Polar Surface Area58.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity137
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-235461L-4-Hydroxyproline methyl ester hydrochloride
sc-294089ACis-L-4-Hydroxyproline methyl ester hydrochloride
sc-286048L-4-Hydroxyproline ethyl ester hydrochloride
40000109-3L-4-Hydroxyproline Benzyl Ester Hydrochloride
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