2-Amino-3-methylhexan-1-ol hydrochloride

CAT: 0926-JBD30956-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JBD30956-01Size:50 mg

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CAS Number

1909309-56-3

MDL Number

MFCD29763052

Smiles

CCCC (C) C (CO) N.Cl

Molecular Formula

C7H18ClNO

Molecular Weight

167.68 g/mol

Controlled

Chemical Information

2-Amino-3-methylhexan-1-ol hydrochloride

CAS Number	1909309-56-3
PubChem CID	121553742
IUPAC Name	2-amino-3-methylhexan-1-ol;hydrochloride
Molecular Formula	C7H18ClNO
Molecular Weight	167.68
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	65

SMILES

CCCC(C)C(CO)N.Cl

InChI

InChI=1S/C7H17NO.ClH/c1-3-4-6(2)7(8)5-9;/h6-7,9H,3-5,8H2,1-2H3;1H

InChIKey

TUMRWXNLLHVTHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1909309-56-3

CID: 121553742

Formula: C7H18ClNO

MW: 167.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.68
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	167.1076919
Monoisotopic Mass	167.1076919
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	65.9
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	2
Compound Is Canonicalized	Yes

Catalog	Name
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