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N-Benzyl-(S)-proline

CAT: 0572-TRC-B288640-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B288640-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31795-93-4
Hazard Statement
No Data Available
Smiles
OC(=O)[C@@H]1CCCN1Cc2ccccc2
Molecular Formula
C12 H15 N O2
Molecular Weight
205.25
InChI
InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1
Additionnal Information
IUPAC name: (2S)-1-benzylpyrrolidine-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Benzyl-L-proline

structure in first source

CAS Number31795-93-4
PubChem CID728719
IUPAC Name(2S)-1-benzylpyrrolidine-2-carboxylic acid
Molecular FormulaC12H15NO2
Molecular Weight205.25
XLogP-0.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity224
SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1
InChIKey
XNROFTAJEGCDCT-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of N-Benzyl-L-proline
CAS: 31795-93-4
CID: 728719
Formula: C12H15NO2
MW: 205.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.25
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass205.110278721
Monoisotopic Mass205.110278721
Topological Polar Surface Area40.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B1078-05KN-Benzyl- (S) -proline
MBS6056629-01N-Benzyl-(S)-proline
B1078-05LN-Benzyl- (S) -proline, Hydrochloride
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262330-01N-Benzyl- (S) -proline hydrochloride
sc-272440(S) -N-[4'-benzyl) piperidino]proline
sc-272361(S) -1-N-Benzyl-beta-proline
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