4-Aminohexan-3-ol

CAT: 0127-OR1071653-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071653-03Size:250 mg

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CAS Number

40818-63-1

MDL Number

MFCD24394629

Purity

95%

Smiles

CCC(O)C(N)CC

Chemical Information

4-Aminohexan-3-ol

CAS Number	40818-63-1
PubChem CID	12801384
IUPAC Name	4-aminohexan-3-ol
Molecular Formula	C6H15NO
Molecular Weight	117.19
XLogP	0.5
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	56

SMILES

CCC(C(CC)O)N

InChI

InChI=1S/C6H15NO/c1-3-5(7)6(8)4-2/h5-6,8H,3-4,7H2,1-2H3

InChIKey

IOYVGJNAPMXLLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40818-63-1

CID: 12801384

Formula: C6H15NO

MW: 117.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	117.19
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	117.115364102
Monoisotopic Mass	117.115364102
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	56.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1039910-01	(S) -3-Aminohexan-1-ol hydrochloride
OR13708-01	6-Aminohexan-1-ol
OR1073152-01	1-Aminohexan-2-ol
OR87962-01	(R) -3-Aminohexan-1-ol hydrochloride
OR89930-01	(R) -2-Aminohexan-1-ol hydrochloride
OR0485	N- (Fluoren-9-ylmethoxycarbonyl) -6-aminohexan-1-ol
OR1052925-01	(3S,4R) -3-aminooxan-4-ol
OR1020705	(3R,4R) -3-Aminooxan-4-ol
OR1020726	(3S,4S) -3-Aminooxan-4-ol
PC111554-01	4,4-Difluorotetrahydrofuran-3-ol

Catalog	Name
TRC-A150581-750MG	1-Aminohexan-3-ol
EEC95286-01	6-Aminohexan-3-ol hydrochloride
AL BT 0108-01	3-aminohexan-1-ol; hydrochloride
TRC-S292730-1G	(S)-3-Aminohexan-1-ol Hydrochloride
FC45807-01	Cbz-6-aminohexan-1-ol
415442-01	2-Aminohexan-1-ol oxalate
abx184847-01	(2R)-2-aminohexan-1-ol
VXC74748-01	5-Aminohexan-1-ol hydrochloride
HWC51561-01	4,4-Difluorooxolan-3-ol
LBA96350-01	4-bromoisoquinolin-3-ol