Vitamin B6 Impurity 113

CAT: 1299-RM-V308113-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-V308113-01Size:10 mg

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CAS Number

4289-99-0

Synonyms

Ethyl formyl-L-alaninate

Molecular Formula

C6H11NO3

Molecular Weight

145.16

Target Alternative Name

Vitamin B6

Product Name Synonym

Ethyl formyl-L-alaninate

Chemical Information

Ethyl N-formyl-2-aminopropanoate

CAS Number	4289-99-0
PubChem CID	13195129
IUPAC Name	ethyl 2-formamidopropanoate
Molecular Formula	C6H11NO3
Molecular Weight	145.16
XLogP	0.2
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

CCOC(=O)C(C)NC=O

InChI

InChI=1S/C6H11NO3/c1-3-10-6(9)5(2)7-4-8/h4-5H,3H2,1-2H3,(H,7,8)

InChIKey

LWYAOXMPTVOERN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4289-99-0

CID: 13195129

Formula: C6H11NO3

MW: 145.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.16
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	145.07389321
Monoisotopic Mass	145.07389321
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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

Catalog	Name
RM-V307938-01	Vitamin B6 Impurity 92 (Vitamin B6 Tetramer)
RM-V307813-01	Vitamin K1 Impurity 113
RM-V308120-01	Vitamin B6 Impurity 120
RM-V308119-01	Vitamin B6 Impurity 119
RM-V307779-01	Vitamin B6 Impurity 79
RM-V307784-01	Vitamin B6 Impurity 84
RM-V307937-01	Vitamin B6 Impurity 91
RM-V308108-01	Vitamin B6 Impurity 106
RM-V307778-01	Vitamin B6 Impurity 78
RG-A262768-01	Vitamin B6 Impurity 63

Catalog	Name
AR-V01550-01	Vitamin A Impurity C (retro-Vitamin A)
HY-76871-01	Vitamin impurity 4
HY-Z1075	Vitamin impurity 2
468726	Vitamin D2 Impurity
GTR19280568-01	Vitamin impurity 3
AR-V01542-01	Vitamin B6 Impurity
AR-V06822-01	Vitamin K1 Impurity 14 (Vitamin K4)
AR-V07170-01	Vitamin D3 Impurity 15
AR-V06848-01	Vitamin K2 Impurity 10
AR-V06847-01	Vitamin K2 Impurity 8