3,5,5-Trimethylhexan-1-amine hydrochloride

CAT: 0926-DXC58441-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-DXC58441-01Size:50 mg

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CAS Number

1803584-41-9

MDL Number

MFCD27980881

Smiles

CC (CCN) CC (C) (C) C.Cl

Molecular Formula

C9H22ClN

Molecular Weight

179.73 g/mol

Controlled

Chemical Information

3,5,5-Trimethylhexan-1-amine hydrochloride

CAS Number	1803584-41-9
PubChem CID	15766522
IUPAC Name	3,5,5-trimethylhexan-1-amine;hydrochloride
Molecular Formula	C9H22ClN
Molecular Weight	179.73
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	81

SMILES

CC(CCN)CC(C)(C)C.Cl

InChI

InChI=1S/C9H21N.ClH/c1-8(5-6-10)7-9(2,3)4;/h8H,5-7,10H2,1-4H3;1H

InChIKey

PNKWMGZBASLLLF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1803584-41-9

CID: 15766522

Formula: C9H22ClN

MW: 179.73

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	179.73
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	179.1440774
Monoisotopic Mass	179.1440774
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	81.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
JDC14969-01	2,2,5-Trimethylhexan-3-amine hydrochloride
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GSD27599-01	5,5-Difluorotetrahydropyran-3-amine hydrochloride
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VYB04021	5-Nitropyridin-3-amine hydrochloride
JBD31860-01	5-Methyloxolan-3-amine hydrochloride
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IDC62805-01	5-Methylhexan-1-amine hydrochloride
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Catalog	Name
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