2-azepan-1-ylethanamine

CAT: 0024-sc-341432Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-341432Size:250 mg

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CAS Number

51388-00-2

Chemical Information

Hexahydro-1H-azepine-1-ethanamine

CAS Number	51388-00-2
PubChem CID	40002
IUPAC Name	2-(azepan-1-yl)ethanamine
Molecular Formula	C8H18N2
Molecular Weight	142.24
XLogP	0.8
Topological Polar Surface Area	29.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	75

SMILES

C1CCCN(CC1)CCN

InChI

InChI=1S/C8H18N2/c9-5-8-10-6-3-1-2-4-7-10/h1-9H2

InChIKey

QHRBDFUMZORTQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51388-00-2

CID: 40002

Formula: C8H18N2

MW: 142.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.24
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.146998583
Monoisotopic Mass	142.146998583
Topological Polar Surface Area	29.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	75.3
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
sc-303861	1-Tetrahydrofuran-2-ylethanamine
sc-334335A	(1R) -1-pyridin-2-ylethanamine
sc-275131	2-phenyl-2-pyrrolidin-1-ylethanamine
sc-334500A	(1S) -1-pyridin-2-ylethanamine
sc-275100	2-oxo-2-pyrrolidin-1-ylethanamine
sc-343170A	2-phenyl-1-pyridin-2-ylethanamine
sc-343170	2-phenyl-1-pyridin-2-ylethanamine
sc-334335	(1R) -1-pyridin-2-ylethanamine
sc-334500	(1S) -1-pyridin-2-ylethanamine
sc-275183	2-tetrahydrofuran-2-ylethanamine

Catalog	Name
OR97949-01	2-Azepan-1-ylethanamine
AL BW 0247-01	2-naphthalen-1-ylethanamine
FT117219-01	2-Thien-2-ylethanamine
AL BW 0248-01	2-naphthalen-2-ylethanamine
OR111236	2-Azepan-1-ylnicotinonitrile
AN KA 0169-01	2-quinolin-3-ylethanamine
408886-01	1-Bicyclo[2.2.1]hept-2-ylethanamine
RBA23939-01	N-Methyl-2-piperidin-1-ylethanamine
OR916855-01	N-Ethyl-2-pyrrolidin-1-ylethanamine
HBA77621	N-Ethyl-2-piperidin-1-ylethanamine