Boc-β-cyano-D-Ala-OH

CAT: 0121-4004994.0001Size: 1 gDry Ice: NoHazardous: No

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CAT#:0121-4004994.0001Size:1 g

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CAS Number

184685-17-4

Specifications

A-1540.0001

Sequence

Boc-β-cyano-D-Ala-OH

Molecular Formula

C₉H₁₄N₂O₄

Molecular Weight

214.22

Shipping Conditions

Ambient Temperature

Storage Temperature

< -15°C

Chemical Information

Boc-beta-cyano-D-alanine

CAS Number	184685-17-4
PubChem CID	7019662
IUPAC Name	(2R)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C9H14N2O4
Molecular Weight	214.22
XLogP	0.2
Topological Polar Surface Area	99.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	297

SMILES

CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)O

InChI

InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1

InChIKey

IVKMLPKBZQTAMQ-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 184685-17-4

CID: 7019662

Formula: C9H14N2O4

MW: 214.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	214.22
XLogP3	0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	214.09535693
Monoisotopic Mass	214.09535693
Topological Polar Surface Area	99.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A-1540.0001	Boc-b-cyano-D-Ala-OH
A-1540.0005	Boc-b-cyano-D-Ala-OH
A-1535.0025	Boc-b-cyano-Ala-OH
A-1535.0001	Boc-b-cyano-Ala-OH
A-1535.0005	Boc-b-cyano-Ala-OH
A-1065.0025	Boc-D-Ala-OH
4000180.0025	Boc-D-Ala-OH
4000180.0100	Boc-D-Ala-OH
A-1065.0100	Boc-D-Ala-OH
4000180.01	Boc-D-Ala-OH

Alternative Products

Catalog	Name
OR36381-01	Boc-ß-cyano-D-Ala-OH
MBS405093-01	Boc-D-Ala-OH
sc-293705A	Boc-beta-cyano-L-Ala-OH
5-05987	Boc-D-Phe-Ala-OH
HY-41121S6-01	Boc-L-Ala-OH-d
BIPG2663-01	Boc-D-isoGln-Ala-OH
FB48198-01	Boc-Ala-Ala-OH
BLA-2051-01	Boc-Ala-OH
HY-W015231	Boc-β-Ala-OH

Boc-β-cyano-D-Ala-OH

Chemical Information

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