N-Cbz-beta-alanine

CAT: 0127-OR350305-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR350305-01Size:25 g

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CAS Number

2304-94-1

MDL Number

MFCD00037292

Purity

98%

Smiles

OC(=O)CCNC(=O)OCc1ccccc1

Storage Conditions

Store at 2-8°C

Chemical Information

N-Benzyloxycarbonyl-beta-alanine

CAS Number	2304-94-1
PubChem CID	75313
IUPAC Name	3-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C11H13NO4
Molecular Weight	223.22
XLogP	0.9
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	236

SMILES

C1=CC=C(C=C1)COC(=O)NCCC(=O)O

InChI

InChI=1S/C11H13NO4/c13-10(14)6-7-12-11(15)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)(H,13,14)

InChIKey

GEVGRLPYQJTKKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2304-94-1

CID: 75313

Formula: C11H13NO4

MW: 223.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.22
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	223.08445790
Monoisotopic Mass	223.08445790
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A120101-01	N-Cbz-D-Alanine
48919887	N-CBZ-L-Alanine-OH
FC29431	N-Cbz-L-alanine N-carboxyanhydride
269367-01	Cbz-b-Alanine
268933-01	N-Cbz-L-alanine L-carboxyanhydride
sc-344954	N-Fmoc-3- (1-Cbz-Piperidin-2-yl) -beta-DL-alanine
262504-01	N-[1- (S) -Cbz-3-phenylpropyl]-L-alanine
FD134652	N, N-Diethyl-beta-alanine
MBS5769615	N-Bromoacetyl-beta-alanine
sc-344957	N-Stearoyl-beta-alanine