Aminocaproic Acid Impurity 10

CAT: 1299-RM-A130310-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A130310-01Size:10 mg

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CAS Number

19837-09-3

Synonyms

1- (6-aminohexanoyl) azepan-2-one

Molecular Formula

C12H22N2O2

Molecular Weight

226.32

Target Alternative Name

Aminocaproic Acid

Product Name Synonym

1- (6-aminohexanoyl) azepan-2-one

Chemical Information

N-aminocaproyl caprolactam

CAS Number	19837-09-3
PubChem CID	21702864
IUPAC Name	1-(6-aminohexanoyl)azepan-2-one
Molecular Formula	C12H22N2O2
Molecular Weight	226.32
XLogP	1.1
Topological Polar Surface Area	63.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	241

SMILES

C1CCC(=O)N(CC1)C(=O)CCCCCN

InChI

InChI=1S/C12H22N2O2/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(14)16/h1-10,13H2

InChIKey

VQUAVXHUHXCIKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19837-09-3

CID: 21702864

Formula: C12H22N2O2

MW: 226.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.32
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	226.168127949
Monoisotopic Mass	226.168127949
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	241
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
RM-A130301-01	Aminocaproic Acid Impurity A
RM-A130309-01	Aminocaproic Acid Impurity 9
RM-A130315-01	Aminocaproic Acid Impurity 15
RM-A130305-01	Aminocaproic Acid Impurity E
RM-A130311-01	Aminocaproic Acid Impurity 11
RM-A130307-01	Aminocaproic Acid Impurity G
RM-A130313-01	Aminocaproic Acid Impurity 13
RM-A130312-01	Aminocaproic Acid Impurity 12
RM-A130302-01	Aminocaproic Acid Impurity B
RM-A130304-01	Aminocaproic Acid Impurity D

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-A06240-01	Aminocaproic Acid Impurity 6
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