4-Ethyl-4-methylazepane

CAT: 0926-PCC90768-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-PCC90768-01Size:50 mg

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CAS Number

1314907-68-0

MDL Number

MFCD19226127

Smiles

CCC1 (CCCNCC1) C

Molecular Formula

C9H19N

Molecular Weight

141.25 g/mol

Controlled

Chemical Information

4-Ethyl-4-methylazepane

CAS Number	1314907-68-0
PubChem CID	55299291
IUPAC Name	4-ethyl-4-methylazepane
Molecular Formula	C9H19N
Molecular Weight	141.25
XLogP	2.4
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

CCC1(CCCNCC1)C

InChI

InChI=1S/C9H19N/c1-3-9(2)5-4-7-10-8-6-9/h10H,3-8H2,1-2H3

InChIKey

QNGRDGNCWCJLJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1314907-68-0

CID: 55299291

Formula: C9H19N

MW: 141.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.25
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	141.151749610
Monoisotopic Mass	141.151749610
Topological Polar Surface Area	12 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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	1
Compound Is Canonicalized	Yes

Catalog	Name
RDA84646-01	4-Methylazepane hydrochloride
VWC53548-01	4-Methoxy-4-methylazepane hydrochloride
EBA52089-01	6-Methylazepane-2,4-dione
YWC01022-01	3-Methylazepane Hydrochloride
ZXC04834-01	3-Fluoro-3-methylazepane
ZJB36539-01	Ethyl 4-ethyl-4-piperidinecarboxylate hydrochloride
DQD64028-01	5,5-Difluoro-3-methylazepane hydrochloride
DBA01810-01	Ethyl 1-ethyl-4-phenylpiperidine-4-carboxylate
FE60063-01	Ethyl 4,4,4-Trichloroacetoacetate
KAA22899-01	Ethyl 4,4-dimethylpentanoate

Catalog	Name
OR82943-01	4-Methylazepane hydrochloride
OR1071778-01	1-Methylazepane
OR950677	2-Methylazepane hydrochloride
sc-239914	Ethyl 4,4,4-trifluoroacetoacetate
sc-252797	Ethyl 4,4,4-trifluorobutyrate
OR1004137-01	Ethyl 4,4,4-Trichloroacetoacetate
sc-235012	Ethyl 4,4,4-trifluorocrotonate
TRC-E678440-10G	Ethyl 4,4-Difluoroacetoacetate
sc-496538	4-Ethyl-4-piperidinamine
sc-323126	4-Ethyl-4'-fluorobenzhydrol