2- (2-Methylpropyl) azepane

CAT: 0127-OR902479-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR902479-01Size:250 mg

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CAS Number

80053-55-0

MDL Number

MFCD02663711

Purity

95%

Smiles

CC(C)CC1CCCCCN1

Chemical Information

2-(2-Methylpropyl)azepane

CAS Number	80053-55-0
PubChem CID	3990169
IUPAC Name	2-(2-methylpropyl)azepane
Molecular Formula	C10H21N
Molecular Weight	155.28
XLogP	2.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	99

SMILES

CC(C)CC1CCCCCN1

InChI

InChI=1S/C10H21N/c1-9(2)8-10-6-4-3-5-7-11-10/h9-11H,3-8H2,1-2H3

InChIKey

GRVWYQLLHYYWCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80053-55-0

CID: 3990169

Formula: C10H21N

MW: 155.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.28
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	155.167399674
Monoisotopic Mass	155.167399674
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99
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
FDA05355-01	2- (2-Methylpropyl) azepane
JFC43376-01	2- (2-Phenylethenyl) azepane
sc-304632	2- (2-Chlorophenyl) azepane
sc-304710	2- (2-Fluorophenyl) azepane
IFA74539-01	2- (2-Methylphenyl) azepane
GKB04013-01	1- (2-Pyrrolidinylmethyl) azepane
413718-01	2- (4-Chlorophenyl) azepane
sc-305616	2- (4-Methylphenyl) azepane
sc-320795	2- (4-Fluorophenyl) azepane
sc-357540	2-Cyclobutyl-azepane oxalate