Conhydrine

CAT: 0926-AAA49520-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA49520-02Size:500 mg

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CAS Number

495-20-5

MDL Number

MFCD01731926

Smiles

CCC (C1CCCCN1) O

Molecular Formula

C8H17NO

Molecular Weight

143.23 g/mol

Controlled

Chemical Information

Conhydrine

conhydrine has been reported in Aloe globuligemma, Conium maculatum, and other organisms with data available.

CAS Number	495-20-5
PubChem CID	11744748
IUPAC Name	(1R)-1-[(2S)-piperidin-2-yl]propan-1-ol
Molecular Formula	C8H17NO
Molecular Weight	143.23
XLogP	1
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	95

SMILES

CC[C@H]([C@@H]1CCCCN1)O

InChI

InChI=1S/C8H17NO/c1-2-8(10)7-5-3-4-6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m0/s1

InChIKey

VCCAAURNBULZRR-JGVFFNPUSA-N

Chemical Structure

2D Structure

CAS: 495-20-5

CID: 11744748

Formula: C8H17NO

MW: 143.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.23
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	143.131014166
Monoisotopic Mass	143.131014166
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.3
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
GTR19195701	Alpha-Conhydrine