Aminocaproic Acid Impurity 6

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CAT#:1596-AR-A06240-01Size:10 Units

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CAS Number

1675217-42-1

Synonyms

2- (2- ((5-carboxypentyl) amino) -2-oxoethyl) -2-hydroxysuccinic acid

Molecular Formula

C12H19NO8

Molecular Weight

305.28

API Name

Aminocaproic acid

Chemical Information

2-[2-[(5-carboxypentyl)amino]-2-oxoethyl]-2-hydroxybutanedioic Acid

CAS Number	1675217-42-1
PubChem CID	139025997
IUPAC Name	2-[2-(5-carboxypentylamino)-2-oxoethyl]-2-hydroxybutanedioic acid
Molecular Formula	C12H19NO8
Molecular Weight	305.28
XLogP	-1.7
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	21
Formal Charge	0
Complexity	408

SMILES

C(CCC(=O)O)CCNC(=O)CC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H19NO8/c14-8(13-5-3-1-2-4-9(15)16)6-12(21,11(19)20)7-10(17)18/h21H,1-7H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)

InChIKey

RBTFEUGRKODLQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1675217-42-1

CID: 139025997

Formula: C12H19NO8

MW: 305.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.28
XLogP3	-1.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	305.11106656
Monoisotopic Mass	305.11106656
Topological Polar Surface Area	161 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	408
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
AR-A01924-01	Aminocaproic Acid Dimer Impurity
AR-A06235-01	Aminocaproic Acid Impurity 11
AR-A06241-01	Aminocaproic Acid Impurity 1
AR-A06237-01	Aminocaproic Acid Impurity 3
AR-A01925-01	Aminocaproic Acid Trimer Impurity
AR-A06239-01	Aminocaproic Acid Impurity 5
AR-A06238-01	Aminocaproic Acid Impurity 4
AR-A06236-01	Aminocaproic Acid Impurity 2
AR-A06231-01	Aminocaproic Acid Impurity 10
AR-A06230-01	Aminocaproic Acid Impurity 9

Catalog	Name
RM-A130301-01	Aminocaproic Acid Impurity A
RM-A130309-01	Aminocaproic Acid Impurity 9
RM-A130305-01	Aminocaproic Acid Impurity E
RM-A130315-01	Aminocaproic Acid Impurity 15
RM-A130311-01	Aminocaproic Acid Impurity 11
RM-A130307-01	Aminocaproic Acid Impurity G
RM-A130313-01	Aminocaproic Acid Impurity 13
RM-A130302-01	Aminocaproic Acid Impurity B
RM-A130304-01	Aminocaproic Acid Impurity D
RM-A130310-01	Aminocaproic Acid Impurity 10