Benzyl Benzoate Impurity 3

CAT: 1299-RM-B052703-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B052703-01Size:10 mg

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CAS Number

252720-32-4

Synonyms

1- ((benzyloxy) carbonyl) -4- ((tert-butoxycarbonyl) amino) piperidine-4-carboxylic acid

Molecular Formula

C19H26N2O6

Molecular Weight

378.43

Target Alternative Name

Benzyl Benzoate

Product Name Synonym

1- ((benzyloxy) carbonyl) -4- ((tert-butoxycarbonyl) amino) piperidine-4-carboxylic acid

Chemical Information

4-n-Boc-amino-1-cbz-isonipecotic acid

CAS Number	252720-32-4
PubChem CID	23102716
IUPAC Name	4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
Molecular Formula	C19H26N2O6
Molecular Weight	378.4
XLogP	2.3
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	543

SMILES

CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H26N2O6/c1-18(2,3)27-16(24)20-19(15(22)23)9-11-21(12-10-19)17(25)26-13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,20,24)(H,22,23)

InChIKey

BGRHKAAVXJAPGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 252720-32-4

CID: 23102716

Formula: C19H26N2O6

MW: 378.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	378.17908655
Monoisotopic Mass	378.17908655
Topological Polar Surface Area	105 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	543
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-B052701-01	Benzyl Benzoate Impurity 1
RM-B052702-01	Benzyl Benzoate Impurity 2
RM-B052700-01	Benzyl Benzoate
RM-L142605-01	Linezolid Benzyl Impurity
RM-E191823-01	Estradiol Benzoate EP Impurity B
RM-E191824-01	Estradiol Benzoate EP Impurity C
RM-E191825-01	Estradiol Benzoate EP Impurity E
RM-E191826-01	Estradiol Benzoate EP Impurity G
RM-T010614-01	Tafluprost Impurity 14 ((-) -Corey Lactone Benzoate)
RM-T010611-01	Tafluprost Impurity 11 (Corey Lactone Benzoate)

Catalog	Name
sc-254964	Benzyl benzoate