(4S) -1-Boc-4-hydroxy-azepane

CAT: 0926-ZWB02038Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-ZWB02038Size:1 g

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CAS Number

1174020-38-2

MDL Number

MFCD18432593

Smiles

CC (C) (C) OC (=O) N1CCC[C@@H] (CC1) O

Molecular Formula

C11H21NO3

Molecular Weight

215.29 g/mol

Controlled

Chemical Information

tert-Butyl (4S)-4-hydroxyazepane-1-carboxylate

CAS Number	1174020-38-2
PubChem CID	40481276
IUPAC Name	tert-butyl (4S)-4-hydroxyazepane-1-carboxylate
Molecular Formula	C11H21NO3
Molecular Weight	215.29
XLogP	1.3
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	222

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](CC1)O

InChI

InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3/t9-/m0/s1

InChIKey

CRFSWDBNKHNGGA-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 1174020-38-2

CID: 40481276

Formula: C11H21NO3

MW: 215.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.29
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	215.15214353
Monoisotopic Mass	215.15214353
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
ZWB02039	(4R) -1-Boc-4-hydroxy-azepane
DUA84110-01	1-Boc-3-hydroxy-azepane
QSB60854-01	1-boc-4-formyl-azepane
JAC06507-01	Methyl 1-Boc-azepane-4-carboxylate
NAA66323	1- (4-Nitrophenyl) azepane
AQB93104-01	1-Boc-3-Hydroxy-4-phenylpiperidine
FB107926-01	Boc-epi-statine (3R,4S) -4- (Boc-amino) -3-hydroxy-6-methyl-heptanoic acid
IMB73350-01	4- (Pyrrolidin-1-yl) azepane
WKB05508-01	1- (Piperidin-4-ylmethyl) azepane
ULB36049-01	1-Boc-4- (4-hydroxy-2-butyl) piperidine

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OR1007163-01	(4S) -1-Boc-4-amino-D-proline
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sc-293538	Boc- (3S,4S) -4-amino-3-hydroxy-5-cyclohexylpentanoic acid
264635-01	Boc- (3S,4S) -4-amino-3-hydroxy-6-methylheptanoic acid
HY-W021482-01	(4S) -1-Boc-4-fluoro-D-proline
sc-267866	(4S) -1-Boc-4-Methyl-L-proline