Retronecine

CAT: 1596-AR-R10775-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10775-02Size:25 Units

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CAS Number

480-85-3

Molecular Formula

C8H13NO2

Molecular Weight

155.20

API Name

Retronecine

Chemical Information

Retronecine

Retronecine is a member of pyrrolizines.

CAS Number	480-85-3
PubChem CID	10198
IUPAC Name	(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
Molecular Formula	C8H13NO2
Molecular Weight	155.19
XLogP	-1.3
Topological Polar Surface Area	43.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	191

SMILES

C1CN2CC=C([C@@H]2[C@@H]1O)CO

InChI

InChI=1S/C8H13NO2/c10-5-6-1-3-9-4-2-7(11)8(6)9/h1,7-8,10-11H,2-5H2/t7-,8-/m1/s1

InChIKey

HJSJELVDQOXCHO-HTQZYQBOSA-N

Chemical Structure

2D Structure

CAS: 480-85-3

CID: 10198

Formula: C8H13NO2

MW: 155.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.19
XLogP3	-1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	155.094628657
Monoisotopic Mass	155.094628657
Topological Polar Surface Area	43.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
TRC-R278000-5MG	(+)-Retronecine
166317	(+) -Retronecine
MBS5760858	Retronecine
bs-71161R	Retronecine antibody
TN2146-01	Retronecine N-oxide
461344-01	O-t-Butyldimethylsilyl Retronecine
T296260	(4S-cis)-4-(O-TBDMS-1-methylethyl)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid 4-O-(+)-Retronecine
434154	(4S-cis) -4- (O-TBDMS-1-methylethyl) -2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid 4-O- (+) -Retronecine