(S) -N-Nitroso Anabasine

CAT: 1299-RM-A140201-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A140201-01Size:10 mg

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CAS Number

1133-64-8

Synonyms

(S) -3- (1-nitrosopiperidin-2-yl) pyridine

Molecular Formula

C10H13N3O

Molecular Weight

191.23

Target Alternative Name

Anabasine

Product Name Synonym

(S) -3- (1-nitrosopiperidin-2-yl) pyridine

Chemical Information

N-Nitrosoanabasine

N-nitrosoanabasine has been reported in Nicotiana tabacum with data available.

CAS Number	1133-64-8
PubChem CID	7069270
IUPAC Name	3-[(2S)-1-nitrosopiperidin-2-yl]pyridine
Molecular Formula	C10H13N3O
Molecular Weight	191.23
XLogP	1.5
Topological Polar Surface Area	45.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	198

SMILES

C1CCN([C@@H](C1)C2=CN=CC=C2)N=O

InChI

InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1

InChIKey

BXYPVKMROLGXJI-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 1133-64-8

CID: 7069270

Formula: C10H13N3O

MW: 191.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.23
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	191.105862047
Monoisotopic Mass	191.105862047
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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