N- (2-Chloroethyl) cyclohexanamine hydrochloride

CAT: 0926-ACA59762-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ACA59762-01Size:100 mg

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CAS Number

50597-62-1

MDL Number

MFCD18839086

Smiles

C1CCC (CC1) NCCCl

Molecular Formula

C8H16ClN

Molecular Weight

161.67 g/mol

Controlled

Chemical Information

N-(2-chloroethyl)cyclohexanamine

CAS Number	50597-62-1
PubChem CID	410533
IUPAC Name	N-(2-chloroethyl)cyclohexanamine
Molecular Formula	C8H16ClN
Molecular Weight	161.67
XLogP	2.2
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	79

SMILES

C1CCC(CC1)NCCCl

InChI

InChI=1S/C8H16ClN/c9-6-7-10-8-4-2-1-3-5-8/h8,10H,1-7H2

InChIKey

VTPRDLVZYOBVJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50597-62-1

CID: 410533

Formula: C8H16ClN

MW: 161.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.67
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	161.0971272
Monoisotopic Mass	161.0971272
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	79.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
ZDA86304-01	N- (2-Methylpropyl) cyclohexanamine hydrochloride
YGC02557-01	N-[ (2-Fluorophenyl) methyl]cyclohexanamine hydrochloride
FSD25458-01	N- (3-Methoxypropyl) cyclohexanamine hydrochloride
TLB63367-01	N- (2-Chloroethyl) cyclopropanamine hydrochloride
GAA28863-01	N-Benzyl-N- (2-chloroethyl) amine hydrochloride
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GAA30661	N- (2-Chloroethyl) propan-2-amine hydrochloride
JBD30565-01	N-Methyl-N- (prop-2-yn-1-yl) cyclohexanamine hydrochloride
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BAA93315-01	N-Ethyl-1- (4-methoxyphenyl) cyclohexanamine hydrochloride

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