Benzylproline

CAT: 0127-OR1037868-02Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1037868-02Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

60169-72-4

MDL Number

MFCD00187622

Purity

98%

Smiles

C1=CC=C(C=C1)CN2CCCC2C(=O)O

Chemical Information

N-Benzyl-DL-proline

CAS Number	60169-72-4
PubChem CID	562952
IUPAC Name	1-benzylpyrrolidine-2-carboxylic acid
Molecular Formula	C12H15NO2
Molecular Weight	205.25
XLogP	-0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	224

SMILES

C1CC(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)

InChIKey

XNROFTAJEGCDCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60169-72-4

CID: 562952

Formula: C12H15NO2

MW: 205.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.25
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	205.110278721
Monoisotopic Mass	205.110278721
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes