Rifapentine Impurity 14

CAT: 1299-RM-R091714-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R091714-01Size:10 mg

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CAS Number

877177-42-9

Synonyms

Tert-butyl 4-nitrosopiperazine-1-carboxylate

Molecular Formula

C9H17N3O3

Molecular Weight

215.25

Target Alternative Name

Rifapentine

Product Name Synonym

Tert-butyl 4-nitrosopiperazine-1-carboxylate

Chemical Information

Tert-butyl 4-nitrosopiperazine-1-carboxylate

CAS Number	877177-42-9
PubChem CID	58919487
IUPAC Name	tert-butyl 4-nitrosopiperazine-1-carboxylate
Molecular Formula	C9H17N3O3
Molecular Weight	215.25
XLogP	0.9
Topological Polar Surface Area	62.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	241

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N=O

InChI

InChI=1S/C9H17N3O3/c1-9(2,3)15-8(13)11-4-6-12(10-14)7-5-11/h4-7H2,1-3H3

InChIKey

JSDOTLMZJULKCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 877177-42-9

CID: 58919487

Formula: C9H17N3O3

MW: 215.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.25
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	215.12699141
Monoisotopic Mass	215.12699141
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	15
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

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