1-Ethylazepane

CAT: 0127-OR46720-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR46720-01Size:100 mg

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CAS Number

6763-91-3

MDL Number

MFCD00046119

Purity

95%

Smiles

CCN1CCCCCC1

Chemical Information

1-Ethylazepane

N-Ethyl-hexahydro-1H-azepine is a member of azepanes.

CAS Number	6763-91-3
PubChem CID	535585
IUPAC Name	1-ethylazepane
Molecular Formula	C8H17N
Molecular Weight	127.23
XLogP	1.8
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	63

SMILES

CCN1CCCCCC1

InChI

InChI=1S/C8H17N/c1-2-9-7-5-3-4-6-8-9/h2-8H2,1H3

InChIKey

RUOFIIKCANAEBW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6763-91-3

CID: 535585

Formula: C8H17N

MW: 127.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.23
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	127.136099547
Monoisotopic Mass	127.136099547
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	63
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
OR1036043-01	Tert-butyl3-ethynylazepane-1-carboxylate
OR912710-01	(S) -3-Amino-1-ethylazepan-2-one
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC01657-01	1,1,1-Trifluorohexane
PC106393	1,1,1-Trifluorodecane
PC53034	1,1,1-Trifluoropentane
OR16079-01	1,1,1-Trichloroacetone
PC7180-01	1,1,1-Trifluoroacetone

Catalog	Name
FDA05354-01	2-Ethylazepane
297272-01	1,1,1,1,1-Kestoheptaose
T5790-01	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
TRC-T773995-100MG	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
HY-157129	AMPK-α1β1γ1 activator 1
410416-01	1,1,1-Trichlorododcane
158582	1,1,1-Trimethoxybutane
158580	1,1,1-Trichlorotrifluoroethane