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L-Proline benzyl ester hydrochloride

CAT: 0286-P24940Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-P24940Size:5 g
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CAS Number
16652-71-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00039002
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
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

benzyl L-prolinate hydrochloride
CAS Number16652-71-4
PubChem CID3084256
IUPAC Namebenzyl pyrrolidine-2-carboxylate;hydrochloride
Molecular FormulaC12H16ClNO2
Molecular Weight241.71
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity212
SMILES
C1CC(NC1)C(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H
InChIKey
NEDMOHHWRPHBAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of benzyl L-prolinate hydrochloride
CAS: 16652-71-4
CID: 3084256
Formula: C12H16ClNO2
MW: 241.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass241.0869564
Monoisotopic Mass241.0869564
Topological Polar Surface Area38.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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